N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide

C18H18N6O2 — CID 24676210

IUPACN-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H18N6O2/c25-17(9-10-24-13-19-12-20-24)21-15-7-4-8-16(11-15)23-18(26)22-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H,21,25)(H2,22,23,26)
InChIKeyAPPRPBDSCMBNQI-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.95
Rot. Bonds6

About N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 24676210) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID24676210
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H18N6O2/c25-17(9-10-24-13-19-12-20-24)21-15-7-4-8-16(11-15)23-18(26)22-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H,21,25)(H2,22,23,26)
InChIKeyAPPRPBDSCMBNQI-UHFFFAOYSA-N
XLogP2.95
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide 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-[4-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676944
N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 16793646
4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 28788777
N-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide
CID 47063443
N-[3-(3-aminoprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 60803072
3-[4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenyl]propanoic acid
CID 81366961
2-fluoro-5-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 60750143
N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47137005
2-[4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenoxy]acetic acid
CID 62034643
N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 60709326
4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55880866
N-(4-indazol-1-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 75444619

Frequently Asked Questions

What is the IUPAC name of N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 24676210) is N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)Nc1cccc(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is APPRPBDSCMBNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-17(9-10-24-13-19-12-20-24)21-15-7-4-8-16(11-15)23-18(26)22-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H,21,25)(H2,22,23,26).
What are the key properties of N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 350.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 24676210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).