phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate

C20H16ClNO2 — CID 101077414

IUPACphenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate
SMILESO=C(NC(c1ccccc1)c1ccc(Cl)cc1)Oc1ccccc1
InChIInChI=1S/C20H16ClNO2/c21-17-13-11-16(12-14-17)19(15-7-3-1-4-8-15)22-20(23)24-18-9-5-2-6-10-18/h1-14,19H,(H,22,23)
InChIKeyGBKDBQSWXPBZBC-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.22
Rot. Bonds4

About phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate

phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate (PubChem CID 101077414) has the molecular formula C20H16ClNO2 and a molecular weight of 337.81 g/mol. Its IUPAC name is phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate
PubChem CID101077414
Molecular FormulaC20H16ClNO2
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC Namephenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate
SMILESO=C(NC(c1ccccc1)c1ccc(Cl)cc1)Oc1ccccc1
InChIInChI=1S/C20H16ClNO2/c21-17-13-11-16(12-14-17)19(15-7-3-1-4-8-15)22-20(23)24-18-9-5-2-6-10-18/h1-14,19H,(H,22,23)
InChIKeyGBKDBQSWXPBZBC-UHFFFAOYSA-N
XLogP5.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate
CID 101077412
phenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate
CID 60709177
2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
CID 2466705
phenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate
CID 60629562
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide
CID 134948149
phenyl N-[(1R)-1-(2-chlorophenyl)ethyl]carbamate
CID 81378918
2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 16559317
2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 99950620
tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate
CID 59689146
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 43877208
(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28580247
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 132762003

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate?
The IUPAC name of phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate (CID 101077414) is phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate.
What is the SMILES notation for phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate?
The canonical SMILES for phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate is O=C(NC(c1ccccc1)c1ccc(Cl)cc1)Oc1ccccc1.
What is the InChIKey of phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate?
The InChIKey is GBKDBQSWXPBZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2/c21-17-13-11-16(12-14-17)19(15-7-3-1-4-8-15)22-20(23)24-18-9-5-2-6-10-18/h1-14,19H,(H,22,23).
What are the key properties of phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate?
phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate has a molecular weight of 337.81 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate is sourced from PubChem (CID 101077414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).