methyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate

C16H15ClN2O4 — CID 47058003

IUPACmethyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C16H15ClN2O4/c1-23-16(22)19-12-5-2-10(3-6-12)9-18-15(21)13-8-11(17)4-7-14(13)20/h2-8,20H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyXUKBAHMFAAXMAR-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.15
Rot. Bonds4

About methyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate

methyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate (PubChem CID 47058003) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is methyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate
PubChem CID47058003
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Namemethyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C16H15ClN2O4/c1-23-16(22)19-12-5-2-10(3-6-12)9-18-15(21)13-8-11(17)4-7-14(13)20/h2-8,20H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyXUKBAHMFAAXMAR-UHFFFAOYSA-N
XLogP3.15
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate
CID 47057995
methyl N-[4-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]carbamate
CID 55846445
5-chloro-N-[(3,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 60739890
5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 18225179
methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate
CID 87019008
5-chloro-N-(furan-3-ylmethyl)-2-hydroxybenzamide
CID 47204985
2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 37267775
ethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate
CID 76852556
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
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
5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide
CID 11994494

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate (CID 47058003) is methyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(=O)c2cc(Cl)ccc2O)cc1.
What is the InChIKey of methyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate?
The InChIKey is XUKBAHMFAAXMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-23-16(22)19-12-5-2-10(3-6-12)9-18-15(21)13-8-11(17)4-7-14(13)20/h2-8,20H,9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of methyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate?
methyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate has a molecular weight of 334.76 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate is sourced from PubChem (CID 47058003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).