4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide

C24H22N2O3 — CID 56545703

IUPAC4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NC(c3ccccc3)C3CC3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c25-23(27)18-8-12-20(13-9-18)29-21-14-10-19(11-15-21)24(28)26-22(17-6-7-17)16-4-2-1-3-5-16/h1-5,8-15,17,22H,6-7H2,(H2,25,27)(H,26,28)
InChIKeyCRPLQKGJJSJEEE-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.46
Rot. Bonds7

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

4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide (PubChem CID 56545703) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide
PubChem CID56545703
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NC(c3ccccc3)C3CC3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c25-23(27)18-8-12-20(13-9-18)29-21-14-10-19(11-15-21)24(28)26-22(17-6-7-17)16-4-2-1-3-5-16/h1-5,8-15,17,22H,6-7H2,(H2,25,27)(H,26,28)
InChIKeyCRPLQKGJJSJEEE-UHFFFAOYSA-N
XLogP4.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545772
4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide
CID 166195128
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide
CID 102850932
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate
CID 56545987
4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide
CID 56548245
N-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 30095392
N-[cyclopropyl(phenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460706
N-[(R)-cyclopropyl(phenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94001737
N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46516145

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide (CID 56545703) is 4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(=O)NC(c3ccccc3)C3CC3)cc2)cc1.
What is the InChIKey of 4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide?
The InChIKey is CRPLQKGJJSJEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c25-23(27)18-8-12-20(13-9-18)29-21-14-10-19(11-15-21)24(28)26-22(17-6-7-17)16-4-2-1-3-5-16/h1-5,8-15,17,22H,6-7H2,(H2,25,27)(H,26,28).
What are the key properties of 4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide?
4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide has a molecular weight of 386.45 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56545703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).