N-[1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropyl]acetamide

C29H28Cl2FN3O4 — CID 135282188

IUPACN-[1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropyl]acetamide
SMILESCC(=O)NC1(CO[C@]2(c3ccc(Cl)cc3)c3c(F)cc(C(C)(C)O)cc3C(=O)N2Cc2ccc(Cl)cn2)CC1
InChIInChI=1S/C29H28Cl2FN3O4/c1-17(36)34-28(10-11-28)16-39-29(18-4-6-20(30)7-5-18)25-23(12-19(13-24(25)32)27(2,3)38)26(37)35(29)15-22-9-8-21(31)14-33-22/h4-9,12-14,38H,10-11,15-16H2,1-3H3,(H,34,36)/t29-/m1/s1
InChIKeyKFWSOJISXOXFIH-GDLZYMKVSA-N
MW572.46 g/mol
LogP5.30
Rot. Bonds8

About N-[1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropyl]acetamide

N-[1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropyl]acetamide (PubChem CID 135282188) has the molecular formula C29H28Cl2FN3O4 and a molecular weight of 572.46 g/mol. Its IUPAC name is N-[1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropyl]acetamide
PubChem CID135282188
Molecular FormulaC29H28Cl2FN3O4
Molecular Weight572.46 g/mol
Exact Mass571.14
IUPAC NameN-[1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropyl]acetamide
SMILESCC(=O)NC1(CO[C@]2(c3ccc(Cl)cc3)c3c(F)cc(C(C)(C)O)cc3C(=O)N2Cc2ccc(Cl)cn2)CC1
InChIInChI=1S/C29H28Cl2FN3O4/c1-17(36)34-28(10-11-28)16-39-29(18-4-6-20(30)7-5-18)25-23(12-19(13-24(25)32)27(2,3)38)26(37)35(29)15-22-9-8-21(31)14-33-22/h4-9,12-14,38H,10-11,15-16H2,1-3H3,(H,34,36)/t29-/m1/s1
InChIKeyKFWSOJISXOXFIH-GDLZYMKVSA-N
XLogP5.30
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.46
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropyl]acetamide?
The IUPAC name of N-[1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropyl]acetamide (CID 135282188) is N-[1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropyl]acetamide.
What is the SMILES notation for N-[1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropyl]acetamide?
The canonical SMILES for N-[1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropyl]acetamide is CC(=O)NC1(CO[C@]2(c3ccc(Cl)cc3)c3c(F)cc(C(C)(C)O)cc3C(=O)N2Cc2ccc(Cl)cn2)CC1.
What is the InChIKey of N-[1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropyl]acetamide?
The InChIKey is KFWSOJISXOXFIH-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H28Cl2FN3O4/c1-17(36)34-28(10-11-28)16-39-29(18-4-6-20(30)7-5-18)25-23(12-19(13-24(25)32)27(2,3)38)26(37)35(29)15-22-9-8-21(31)14-33-22/h4-9,12-14,38H,10-11,15-16H2,1-3H3,(H,34,36)/t29-/m1/s1.
What are the key properties of N-[1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropyl]acetamide?
N-[1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropyl]acetamide has a molecular weight of 572.46 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropyl]acetamide is sourced from PubChem (CID 135282188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).