1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea

C19H16ClN3O — CID 51168657

IUPAC1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea
SMILESO=C(Nc1ccccc1Cl)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H16ClN3O/c20-15-10-4-5-11-16(15)22-19(24)23-18(14-8-2-1-3-9-14)17-12-6-7-13-21-17/h1-13,18H,(H2,22,23,24)
InChIKeyHZPSNFQLMANQMI-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.65
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea

1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea (PubChem CID 51168657) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea
PubChem CID51168657
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea
SMILESO=C(Nc1ccccc1Cl)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H16ClN3O/c20-15-10-4-5-11-16(15)22-19(24)23-18(14-8-2-1-3-9-14)17-12-6-7-13-21-17/h1-13,18H,(H2,22,23,24)
InChIKeyHZPSNFQLMANQMI-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

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Related Compounds

1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
(2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid
CID 104897065
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
CID 110924300
1-butyl-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36961565
1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea
CID 36524562
1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512687
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
CID 46596546
2-[(2-chlorophenyl)carbamoylamino]propanoic acid
CID 3838662
N-(2-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81406571
1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512185
1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea
CID 45352104

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea (CID 51168657) is 1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea is O=C(Nc1ccccc1Cl)NC(c1ccccc1)c1ccccn1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea?
The InChIKey is HZPSNFQLMANQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-15-10-4-5-11-16(15)22-19(24)23-18(14-8-2-1-3-9-14)17-12-6-7-13-21-17/h1-13,18H,(H2,22,23,24).
What are the key properties of 1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea?
1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]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-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea is sourced from PubChem (CID 51168657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).