N-benzyl-N-(4-chlorophenyl)carbamate

C14H11ClNO2- — CID 57352330

IUPACN-benzyl-N-(4-chlorophenyl)carbamate
SMILESO=C([O-])N(Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c15-12-6-8-13(9-7-12)16(14(17)18)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18)/p-1
InChIKeyCKOANDDZIFZCBR-UHFFFAOYSA-M
MW260.70 g/mol
LogP2.69
Rot. Bonds3

About N-benzyl-N-(4-chlorophenyl)carbamate

N-benzyl-N-(4-chlorophenyl)carbamate (PubChem CID 57352330) has the molecular formula C14H11ClNO2- and a molecular weight of 260.70 g/mol. Its IUPAC name is N-benzyl-N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound NameN-benzyl-N-(4-chlorophenyl)carbamate
PubChem CID57352330
Molecular FormulaC14H11ClNO2-
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC NameN-benzyl-N-(4-chlorophenyl)carbamate
SMILESO=C([O-])N(Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c15-12-6-8-13(9-7-12)16(14(17)18)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18)/p-1
InChIKeyCKOANDDZIFZCBR-UHFFFAOYSA-M
XLogP2.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
N-benzyl-2-bromo-N-(4-chlorophenyl)-2-methyl-3-oxobutanamide
CID 135072358
2-amino-N-[(4-chlorophenyl)methyl]-N-phenylacetamide
CID 39373717
methyl N-benzyl-N-(4-chlorophenyl)carbamodithioate
CID 10968829
N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide
CID 108516639
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide
CID 46045826
1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea
CID 102087600
(4-aminophenyl)-benzylcarbamic acid
CID 69046621
N-(4-chlorobut-2-ynyl)-N-(4-chlorophenyl)carbamate
CID 57350187
4-[4-chloro-N-(naphthalen-2-ylmethyl)anilino]-2,4-dioxobutanoic acid
CID 90687865
2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid
CID 127028520
N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide
CID 748517

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-chlorophenyl)carbamate?
The IUPAC name of N-benzyl-N-(4-chlorophenyl)carbamate (CID 57352330) is N-benzyl-N-(4-chlorophenyl)carbamate.
What is the SMILES notation for N-benzyl-N-(4-chlorophenyl)carbamate?
The canonical SMILES for N-benzyl-N-(4-chlorophenyl)carbamate is O=C([O-])N(Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-N-(4-chlorophenyl)carbamate?
The InChIKey is CKOANDDZIFZCBR-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12ClNO2/c15-12-6-8-13(9-7-12)16(14(17)18)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18)/p-1.
What are the key properties of N-benzyl-N-(4-chlorophenyl)carbamate?
N-benzyl-N-(4-chlorophenyl)carbamate has a molecular weight of 260.70 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 57352330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).