4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide

C24H21FN2O3 — CID 56545378

IUPAC4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cc2)cc1
InChIInChI=1S/C24H21FN2O3/c25-22-4-2-1-3-18(22)15-27(19-9-10-19)24(29)17-7-13-21(14-8-17)30-20-11-5-16(6-12-20)23(26)28/h1-8,11-14,19H,9-10,15H2,(H2,26,28)
InChIKeyBITMKMYZADRECR-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.52
Rot. Bonds7

About 4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide

4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide (PubChem CID 56545378) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is 4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide
PubChem CID56545378
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC Name4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cc2)cc1
InChIInChI=1S/C24H21FN2O3/c25-22-4-2-1-3-18(22)15-27(19-9-10-19)24(29)17-7-13-21(14-8-17)30-20-11-5-16(6-12-20)23(26)28/h1-8,11-14,19H,9-10,15H2,(H2,26,28)
InChIKeyBITMKMYZADRECR-UHFFFAOYSA-N
XLogP4.52
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide
CID 86891469
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide
CID 55772522
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)benzamide
CID 40643612
N-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 31443397
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 24549345
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706
6-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 103874178
2-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide
CID 34576891
3-(cyclopropanecarbonylamino)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]benzamide
CID 34577765
N-cyclopropyl-2-(4-ethoxyphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013750
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271

Frequently Asked Questions

What is the IUPAC name of 4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide (CID 56545378) is 4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cc2)cc1.
What is the InChIKey of 4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide?
The InChIKey is BITMKMYZADRECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c25-22-4-2-1-3-18(22)15-27(19-9-10-19)24(29)17-7-13-21(14-8-17)30-20-11-5-16(6-12-20)23(26)28/h1-8,11-14,19H,9-10,15H2,(H2,26,28).
What are the key properties of 4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide?
4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide has a molecular weight of 404.44 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56545378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).