1-benzhydryl-3-(5-chloro-2-pyridinyl)urea

C19H16ClN3O — CID 108867612

IUPAC1-benzhydryl-3-(5-chloro-2-pyridinyl)urea
SMILESO=C(Nc1ccc(Cl)cn1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16ClN3O/c20-16-11-12-17(21-13-16)22-19(24)23-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18H,(H2,21,22,23,24)
InChIKeyDQACAKHHTGTHOK-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.65
Rot. Bonds4

About 1-benzhydryl-3-(5-chloro-2-pyridinyl)urea

1-benzhydryl-3-(5-chloro-2-pyridinyl)urea (PubChem CID 108867612) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-benzhydryl-3-(5-chloro-2-pyridinyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(5-chloro-2-pyridinyl)urea
PubChem CID108867612
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name1-benzhydryl-3-(5-chloro-2-pyridinyl)urea
SMILESO=C(Nc1ccc(Cl)cn1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16ClN3O/c20-16-11-12-17(21-13-16)22-19(24)23-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18H,(H2,21,22,23,24)
InChIKeyDQACAKHHTGTHOK-UHFFFAOYSA-N
XLogP4.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-benzhydryl-3-(5-chloro-2-pyridinyl)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

2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide
CID 43245528
(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide
CID 7277749
N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
CID 1048122
1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea
CID 901016
1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea
CID 94129459
1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea
CID 45352104
1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea
CID 108867456
2,6-dichloro-N-[(5-chloro-2-pyridinyl)carbamoyl]benzamide
CID 23345083
1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 12060189
1-(5-chloro-2-pyridinyl)-3-ethenylurea
CID 108909366
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821819

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(5-chloro-2-pyridinyl)urea?
The IUPAC name of 1-benzhydryl-3-(5-chloro-2-pyridinyl)urea (CID 108867612) is 1-benzhydryl-3-(5-chloro-2-pyridinyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(5-chloro-2-pyridinyl)urea?
The canonical SMILES for 1-benzhydryl-3-(5-chloro-2-pyridinyl)urea is O=C(Nc1ccc(Cl)cn1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(5-chloro-2-pyridinyl)urea?
The InChIKey is DQACAKHHTGTHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-16-11-12-17(21-13-16)22-19(24)23-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18H,(H2,21,22,23,24).
What are the key properties of 1-benzhydryl-3-(5-chloro-2-pyridinyl)urea?
1-benzhydryl-3-(5-chloro-2-pyridinyl)urea has a molecular weight of 337.81 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(5-chloro-2-pyridinyl)urea is sourced from PubChem (CID 108867612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).