N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide

C23H21N3O2 — CID 4942014

IUPACN-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)c1ccccc1NC(=O)C1CC1
InChIInChI=1S/C23H21N3O2/c27-22(16-10-11-16)26-21-9-5-4-8-20(21)23(28)25-19-14-12-18(13-15-19)24-17-6-2-1-3-7-17/h1-9,12-16,24H,10-11H2,(H,25,28)(H,26,27)
InChIKeyAWCLOPRMIXGPDS-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.03
Rot. Bonds6

About N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide

N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide (PubChem CID 4942014) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide
PubChem CID4942014
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)c1ccccc1NC(=O)C1CC1
InChIInChI=1S/C23H21N3O2/c27-22(16-10-11-16)26-21-9-5-4-8-20(21)23(28)25-19-14-12-18(13-15-19)24-17-6-2-1-3-7-17/h1-9,12-16,24H,10-11H2,(H,25,28)(H,26,27)
InChIKeyAWCLOPRMIXGPDS-UHFFFAOYSA-N
XLogP5.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide (CID 4942014) is N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide is O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccccc1NC(=O)C1CC1.
What is the InChIKey of N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide?
The InChIKey is AWCLOPRMIXGPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-22(16-10-11-16)26-21-9-5-4-8-20(21)23(28)25-19-14-12-18(13-15-19)24-17-6-2-1-3-7-17/h1-9,12-16,24H,10-11H2,(H,25,28)(H,26,27).
What are the key properties of N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide?
N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide has a molecular weight of 371.44 g/mol, XLogP of 5.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 4942014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).