1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea

C20H19ClN4O — CID 52501243

IUPAC1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea
SMILESC[C@@H](Nc1ccc(NC(=O)Nc2ccncc2)cc1Cl)c1ccccc1
InChIInChI=1S/C20H19ClN4O/c1-14(15-5-3-2-4-6-15)23-19-8-7-17(13-18(19)21)25-20(26)24-16-9-11-22-12-10-16/h2-14,23H,1H3,(H2,22,24,25,26)/t14-/m1/s1
InChIKeyJFVUZCCCNBUASP-CQSZACIVSA-N
MW366.85 g/mol
LogP5.55
Rot. Bonds5

About 1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea

1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea (PubChem CID 52501243) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea
PubChem CID52501243
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea
SMILESC[C@@H](Nc1ccc(NC(=O)Nc2ccncc2)cc1Cl)c1ccccc1
InChIInChI=1S/C20H19ClN4O/c1-14(15-5-3-2-4-6-15)23-19-8-7-17(13-18(19)21)25-20(26)24-16-9-11-22-12-10-16/h2-14,23H,1H3,(H2,22,24,25,26)/t14-/m1/s1
InChIKeyJFVUZCCCNBUASP-CQSZACIVSA-N
XLogP5.55
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea 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

3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide
CID 52763720
N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119743334
1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide
CID 119743322
3-chloro-4-(1-phenylethylamino)benzoic acid
CID 63088121
1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119300292
2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43192035
N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300297
2-chloro-N-(1-pyridin-4-ylethyl)aniline
CID 43194712
2,4-dichloro-N-(1-phenylethyl)aniline
CID 43082155
N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119300296
(2S)-2-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]-4-methylsulfanylbutanamide
CID 119300289
6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide
CID 167773043

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea (CID 52501243) is 1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea is C[C@@H](Nc1ccc(NC(=O)Nc2ccncc2)cc1Cl)c1ccccc1.
What is the InChIKey of 1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea?
The InChIKey is JFVUZCCCNBUASP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-14(15-5-3-2-4-6-15)23-19-8-7-17(13-18(19)21)25-20(26)24-16-9-11-22-12-10-16/h2-14,23H,1H3,(H2,22,24,25,26)/t14-/m1/s1.
What are the key properties of 1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea?
1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea has a molecular weight of 366.85 g/mol, XLogP of 5.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 52501243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).