1-benzhydryl-3-(4-methoxyphenyl)urea

C21H20N2O2 — CID 11602403

IUPAC1-benzhydryl-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O2/c1-25-19-14-12-18(13-15-19)22-21(24)23-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,20H,1H3,(H2,22,23,24)
InChIKeyYOFCIMAVZQKJFR-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.61
Rot. Bonds5

About 1-benzhydryl-3-(4-methoxyphenyl)urea

1-benzhydryl-3-(4-methoxyphenyl)urea (PubChem CID 11602403) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-benzhydryl-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(4-methoxyphenyl)urea
PubChem CID11602403
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-benzhydryl-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O2/c1-25-19-14-12-18(13-15-19)22-21(24)23-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,20H,1H3,(H2,22,23,24)
InChIKeyYOFCIMAVZQKJFR-UHFFFAOYSA-N
XLogP4.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide
CID 108867378
3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 16772233
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
1-benzhydryl-3-(4-phenylphenyl)urea
CID 108867015
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-benzhydryl-3-(4-decoxyphenyl)urea
CID 4304974
N-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide
CID 86878568
3-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide
CID 55773754
2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 2190610
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea
CID 17480798
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-benzhydryl-3-(4-methoxyphenyl)urea (CID 11602403) is 1-benzhydryl-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-benzhydryl-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-benzhydryl-3-(4-methoxyphenyl)urea?
The InChIKey is YOFCIMAVZQKJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-25-19-14-12-18(13-15-19)22-21(24)23-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,20H,1H3,(H2,22,23,24).
What are the key properties of 1-benzhydryl-3-(4-methoxyphenyl)urea?
1-benzhydryl-3-(4-methoxyphenyl)urea has a molecular weight of 332.40 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 11602403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).