methyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate

C16H14Cl2N2O3 — CID 47057995

IUPACmethyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H14Cl2N2O3/c1-23-16(22)20-12-5-2-10(3-6-12)9-19-15(21)13-8-11(17)4-7-14(13)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyWKJDXLJZFJEBPQ-UHFFFAOYSA-N
MW353.21 g/mol
LogP4.10
Rot. Bonds4

About methyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate

methyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate (PubChem CID 47057995) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is methyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate
PubChem CID47057995
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Namemethyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H14Cl2N2O3/c1-23-16(22)20-12-5-2-10(3-6-12)9-19-15(21)13-8-11(17)4-7-14(13)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyWKJDXLJZFJEBPQ-UHFFFAOYSA-N
XLogP4.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl N-[4-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]carbamate
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methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate
CID 87019008
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
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2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
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methyl N-[4-[[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]methyl]phenyl]carbamate
CID 86948179
methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate
CID 47057996
2,5-dichloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30342567
methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106
5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide
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4-chloro-1-N-[(4-chlorophenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 171355386
methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate
CID 46828283

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate (CID 47057995) is methyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of methyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate?
The InChIKey is WKJDXLJZFJEBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-23-16(22)20-12-5-2-10(3-6-12)9-19-15(21)13-8-11(17)4-7-14(13)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of methyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate?
methyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate has a molecular weight of 353.21 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate is sourced from PubChem (CID 47057995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).