N-[2-[3-amino-1-[3,4-bis(difluoromethoxy)phenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide

C23H21F4N3O5 — CID 91432676

IUPACN-[2-[3-amino-1-[3,4-bis(difluoromethoxy)phenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide
SMILESNC(=O)CC(c1ccc(OC(F)F)c(OC(F)F)c1)n1cc2cccc(NC(=O)C3CC3)c2c1O
InChIInChI=1S/C23H21F4N3O5/c24-22(25)34-16-7-6-12(8-17(16)35-23(26)27)15(9-18(28)31)30-10-13-2-1-3-14(19(13)21(30)33)29-20(32)11-4-5-11/h1-3,6-8,10-11,15,22-23,33H,4-5,9H2,(H2,28,31)(H,29,32)
InChIKeyCVXHBIGBOSFVRB-UHFFFAOYSA-N
MW495.43 g/mol
LogP4.36
Rot. Bonds10

About N-[2-[3-amino-1-[3,4-bis(difluoromethoxy)phenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide

N-[2-[3-amino-1-[3,4-bis(difluoromethoxy)phenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide (PubChem CID 91432676) has the molecular formula C23H21F4N3O5 and a molecular weight of 495.43 g/mol. Its IUPAC name is N-[2-[3-amino-1-[3,4-bis(difluoromethoxy)phenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-amino-1-[3,4-bis(difluoromethoxy)phenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide
PubChem CID91432676
Molecular FormulaC23H21F4N3O5
Molecular Weight495.43 g/mol
Exact Mass495.14
IUPAC NameN-[2-[3-amino-1-[3,4-bis(difluoromethoxy)phenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide
SMILESNC(=O)CC(c1ccc(OC(F)F)c(OC(F)F)c1)n1cc2cccc(NC(=O)C3CC3)c2c1O
InChIInChI=1S/C23H21F4N3O5/c24-22(25)34-16-7-6-12(8-17(16)35-23(26)27)15(9-18(28)31)30-10-13-2-1-3-14(19(13)21(30)33)29-20(32)11-4-5-11/h1-3,6-8,10-11,15,22-23,33H,4-5,9H2,(H2,28,31)(H,29,32)
InChIKeyCVXHBIGBOSFVRB-UHFFFAOYSA-N
XLogP4.36
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.43
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[1-[3,4-bis(difluoromethoxy)phenyl]-3-(hydroxyamino)-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide
CID 91021792
3-(7-acetamido-1-hydroxyisoindol-2-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoic acid
CID 91347762
N-[2-[1-(3-ethoxy-4-methoxyphenyl)-3-hydroxypropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide
CID 91388261
N-[2-[(1R)-3-(dimethylamino)-1-(3-ethoxy-4-methoxyphenyl)propyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide
CID 90718483
N-[2-[1-(3-ethoxy-4-methoxyphenyl)-3-(hydroxyamino)propyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide
CID 91105466
N-[1-[3,4-bis(difluoromethoxy)phenyl]-3-(dimethylamino)-3-oxopropyl]-2-(cyclopropanecarbonylamino)-6-methylbenzamide
CID 142921674
N-[7-chloro-2-[(1R)-3-(dimethylamino)-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide
CID 91475842
(3S)-3-(4-acetamido-1,3-dioxoisoindol-2-yl)-3-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]propanamide
CID 124563407
N-[7-bromo-2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide
CID 90691766
[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-oxo-1H-isoindol-4-yl]carbamic acid;cyclopropane
CID 68953148
4-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674092
3-[4-(cyclopropanecarbonylamino)-3-oxo-1H-isoindol-2-yl]-3-(3-ethoxy-4-methoxyphenyl)propanoic acid
CID 22177176

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-amino-1-[3,4-bis(difluoromethoxy)phenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[3-amino-1-[3,4-bis(difluoromethoxy)phenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide (CID 91432676) is N-[2-[3-amino-1-[3,4-bis(difluoromethoxy)phenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[3-amino-1-[3,4-bis(difluoromethoxy)phenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[3-amino-1-[3,4-bis(difluoromethoxy)phenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide is NC(=O)CC(c1ccc(OC(F)F)c(OC(F)F)c1)n1cc2cccc(NC(=O)C3CC3)c2c1O.
What is the InChIKey of N-[2-[3-amino-1-[3,4-bis(difluoromethoxy)phenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide?
The InChIKey is CVXHBIGBOSFVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N3O5/c24-22(25)34-16-7-6-12(8-17(16)35-23(26)27)15(9-18(28)31)30-10-13-2-1-3-14(19(13)21(30)33)29-20(32)11-4-5-11/h1-3,6-8,10-11,15,22-23,33H,4-5,9H2,(H2,28,31)(H,29,32).
What are the key properties of N-[2-[3-amino-1-[3,4-bis(difluoromethoxy)phenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide?
N-[2-[3-amino-1-[3,4-bis(difluoromethoxy)phenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide has a molecular weight of 495.43 g/mol, XLogP of 4.36, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-amino-1-[3,4-bis(difluoromethoxy)phenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91432676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).