4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide

C20H21N3O3 — CID 18140391

IUPAC4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-13(24)21-12-14-2-4-15(5-3-14)19(25)22-17-8-10-18(11-9-17)23-20(26)16-6-7-16/h2-5,8-11,16H,6-7,12H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyQQFZCBQKQXAIDC-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.92
Rot. Bonds6

About 4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide

4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide (PubChem CID 18140391) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide
PubChem CID18140391
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-13(24)21-12-14-2-4-15(5-3-14)19(25)22-17-8-10-18(11-9-17)23-20(26)16-6-7-16/h2-5,8-11,16H,6-7,12H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyQQFZCBQKQXAIDC-UHFFFAOYSA-N
XLogP2.92
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide
CID 46468399
N-[4-(cyclopropanecarbonylamino)phenyl]-4-(methoxymethyl)benzamide
CID 41266000
4-(acetamidomethyl)-N-(4-phenylphenyl)benzamide
CID 78805930
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 24682821
4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 60515869
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-(1,3-dithian-2-yl)benzamide
CID 24680771
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
4-(cyclopropanecarbonylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 33279074
N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide
CID 120989794
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide (CID 18140391) is 4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide is CC(=O)NCc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide?
The InChIKey is QQFZCBQKQXAIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(24)21-12-14-2-4-15(5-3-14)19(25)22-17-8-10-18(11-9-17)23-20(26)16-6-7-16/h2-5,8-11,16H,6-7,12H2,1H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of 4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide?
4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide is sourced from PubChem (CID 18140391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).