3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide

C19H19N3O3 — CID 46569381

IUPAC3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C19H19N3O3/c20-17(23)14-4-2-5-15(10-14)18(24)21-11-12-3-1-6-16(9-12)22-19(25)13-7-8-13/h1-6,9-10,13H,7-8,11H2,(H2,20,23)(H,21,24)(H,22,25)
InChIKeyXITRPVOMPKCVSD-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.06
Rot. Bonds6

About 3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide

3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide (PubChem CID 46569381) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
PubChem CID46569381
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C19H19N3O3/c20-17(23)14-4-2-5-15(10-14)18(24)21-11-12-3-1-6-16(9-12)22-19(25)13-7-8-13/h1-6,9-10,13H,7-8,11H2,(H2,20,23)(H,21,24)(H,22,25)
InChIKeyXITRPVOMPKCVSD-UHFFFAOYSA-N
XLogP2.06
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide 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

N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide
CID 17491912
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 30342481
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55894164
N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55862384
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-(methanesulfonamido)benzamide
CID 41479014
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 24597417
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-fluorobenzamide
CID 17498569
3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide
CID 39906130
5-(cyclopropanecarbonylamino)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]thiophene-2-carboxamide
CID 17492769

Frequently Asked Questions

What is the IUPAC name of 3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide (CID 46569381) is 3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1.
What is the InChIKey of 3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide?
The InChIKey is XITRPVOMPKCVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c20-17(23)14-4-2-5-15(10-14)18(24)21-11-12-3-1-6-16(9-12)22-19(25)13-7-8-13/h1-6,9-10,13H,7-8,11H2,(H2,20,23)(H,21,24)(H,22,25).
What are the key properties of 3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide?
3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 46569381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).