[4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid

C15H13Cl2NO4 — CID 68918668

IUPAC[4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid
SMILESCOc1c(Cl)cccc1C(O)c1cc(Cl)ccc1NC(=O)O
InChIInChI=1S/C15H13Cl2NO4/c1-22-14-9(3-2-4-11(14)17)13(19)10-7-8(16)5-6-12(10)18-15(20)21/h2-7,13,18-19H,1H3,(H,20,21)
InChIKeyITTNYPPKQDVYOU-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.17
Rot. Bonds4

About [4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid

[4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid (PubChem CID 68918668) has the molecular formula C15H13Cl2NO4 and a molecular weight of 342.18 g/mol. Its IUPAC name is [4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid
PubChem CID68918668
Molecular FormulaC15H13Cl2NO4
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name[4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid
SMILESCOc1c(Cl)cccc1C(O)c1cc(Cl)ccc1NC(=O)O
InChIInChI=1S/C15H13Cl2NO4/c1-22-14-9(3-2-4-11(14)17)13(19)10-7-8(16)5-6-12(10)18-15(20)21/h2-7,13,18-19H,1H3,(H,20,21)
InChIKeyITTNYPPKQDVYOU-UHFFFAOYSA-N
XLogP4.17
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid with MolForge

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Related Compounds

N-[4-chloro-2-[(R)-(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide
CID 11728565
3,5-dichloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733581
5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 95733474
N-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide
CID 57177618
3-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733559
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxybenzamide
CID 95362021
5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 50882360
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 95557632
3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 82619390
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide
CID 126837112
4-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 95733480
4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 50882559

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid?
The IUPAC name of [4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid (CID 68918668) is [4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid.
What is the SMILES notation for [4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid?
The canonical SMILES for [4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid is COc1c(Cl)cccc1C(O)c1cc(Cl)ccc1NC(=O)O.
What is the InChIKey of [4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid?
The InChIKey is ITTNYPPKQDVYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4/c1-22-14-9(3-2-4-11(14)17)13(19)10-7-8(16)5-6-12(10)18-15(20)21/h2-7,13,18-19H,1H3,(H,20,21).
What are the key properties of [4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid?
[4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid has a molecular weight of 342.18 g/mol, XLogP of 4.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid is sourced from PubChem (CID 68918668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).