benzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate

C16H15ClN2O4 — CID 173319571

IUPACbenzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate
SMILESCOc1cc(NC(=O)OCc2ccccc2)c(Cl)cc1C(N)=O
InChIInChI=1S/C16H15ClN2O4/c1-22-14-8-13(12(17)7-11(14)15(18)20)19-16(21)23-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,18,20)(H,19,21)
InChIKeyVMCKGXPLABSCQK-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.20
Rot. Bonds5

About benzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate

benzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate (PubChem CID 173319571) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is benzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate
PubChem CID173319571
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Namebenzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate
SMILESCOc1cc(NC(=O)OCc2ccccc2)c(Cl)cc1C(N)=O
InChIInChI=1S/C16H15ClN2O4/c1-22-14-8-13(12(17)7-11(14)15(18)20)19-16(21)23-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,18,20)(H,19,21)
InChIKeyVMCKGXPLABSCQK-UHFFFAOYSA-N
XLogP3.20
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate
CID 70300379
4-(benzylcarbamothioylamino)-5-chloro-2-methoxybenzoic acid
CID 91687091
benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate
CID 142143785
5-amino-2-chloro-4-(phenylmethoxycarbonylamino)benzoic acid
CID 20636250
4-chloro-2-(phenylmethoxycarbonylamino)benzoic acid
CID 29299845
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate
CID 22933103
(4-nitrophenyl)methyl N-(2-chloro-5-hydroxy-4-methoxyphenyl)carbamate
CID 22600008
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate
CID 91489110
benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate
CID 58931364
4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 7356959

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate?
The IUPAC name of benzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate (CID 173319571) is benzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate.
What is the SMILES notation for benzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate?
The canonical SMILES for benzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate is COc1cc(NC(=O)OCc2ccccc2)c(Cl)cc1C(N)=O.
What is the InChIKey of benzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate?
The InChIKey is VMCKGXPLABSCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-22-14-8-13(12(17)7-11(14)15(18)20)19-16(21)23-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of benzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate?
benzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate has a molecular weight of 334.76 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate is sourced from PubChem (CID 173319571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).