1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea

C15H16ClN3O2 — CID 99841259

IUPAC1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
SMILESCOc1cc(NC(=O)N[C@H](C)c2ccncc2)ccc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-10(11-5-7-17-8-6-11)18-15(20)19-12-3-4-13(16)14(9-12)21-2/h3-10H,1-2H3,(H2,18,19,20)/t10-/m1/s1
InChIKeyKVCOGGJPLCPEQQ-SNVBAGLBSA-N
MW305.77 g/mol
LogP3.63
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea

1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea (PubChem CID 99841259) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
PubChem CID99841259
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
SMILESCOc1cc(NC(=O)N[C@H](C)c2ccncc2)ccc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-10(11-5-7-17-8-6-11)18-15(20)19-12-3-4-13(16)14(9-12)21-2/h3-10H,1-2H3,(H2,18,19,20)/t10-/m1/s1
InChIKeyKVCOGGJPLCPEQQ-SNVBAGLBSA-N
XLogP3.63
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea 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

methyl 2-chloro-4-(1-pyridin-4-ylethylcarbamoylamino)benzoate
CID 122140863
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40635753
1-(3-chloro-4-piperidin-1-ylphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95686874
1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 45147279
(2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 107622421
1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696466
2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
CID 107621348
1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95130503
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 29039496
1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40637158
(2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107829616

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea (CID 99841259) is 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea is COc1cc(NC(=O)N[C@H](C)c2ccncc2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea?
The InChIKey is KVCOGGJPLCPEQQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-10(11-5-7-17-8-6-11)18-15(20)19-12-3-4-13(16)14(9-12)21-2/h3-10H,1-2H3,(H2,18,19,20)/t10-/m1/s1.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea?
1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea has a molecular weight of 305.77 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea is sourced from PubChem (CID 99841259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).