[2-chloro-5-(2-methoxy-4,6-dimethylphenyl)phenyl] N-propan-2-ylcarbamate

C19H22ClNO3 — CID 11493997

IUPAC[2-chloro-5-(2-methoxy-4,6-dimethylphenyl)phenyl] N-propan-2-ylcarbamate
SMILESCOc1cc(C)cc(C)c1-c1ccc(Cl)c(OC(=O)NC(C)C)c1
InChIInChI=1S/C19H22ClNO3/c1-11(2)21-19(22)24-16-10-14(6-7-15(16)20)18-13(4)8-12(3)9-17(18)23-5/h6-11H,1-5H3,(H,21,22)
InChIKeyCDQCNAPSDSWFCG-UHFFFAOYSA-N
MW347.84 g/mol
LogP5.13
Rot. Bonds4

About [2-chloro-5-(2-methoxy-4,6-dimethylphenyl)phenyl] N-propan-2-ylcarbamate

[2-chloro-5-(2-methoxy-4,6-dimethylphenyl)phenyl] N-propan-2-ylcarbamate (PubChem CID 11493997) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is [2-chloro-5-(2-methoxy-4,6-dimethylphenyl)phenyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[2-chloro-5-(2-methoxy-4,6-dimethylphenyl)phenyl] N-propan-2-ylcarbamate
PubChem CID11493997
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name[2-chloro-5-(2-methoxy-4,6-dimethylphenyl)phenyl] N-propan-2-ylcarbamate
SMILESCOc1cc(C)cc(C)c1-c1ccc(Cl)c(OC(=O)NC(C)C)c1
InChIInChI=1S/C19H22ClNO3/c1-11(2)21-19(22)24-16-10-14(6-7-15(16)20)18-13(4)8-12(3)9-17(18)23-5/h6-11H,1-5H3,(H,21,22)
InChIKeyCDQCNAPSDSWFCG-UHFFFAOYSA-N
XLogP5.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.84
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-chloro-5-(2-methoxy-4,6-dimethylphenyl)phenyl] N-propan-2-ylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methoxy-4,6-dimethylphenyl)phenol
CID 106681641
(2-methoxyphenyl) N-propan-2-ylcarbamate
CID 2802349
[2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine
CID 106681165
2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681041
(3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate
CID 158053906
1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
CID 106681095
2-chloro-5-(2,4,6-trimethylphenyl)benzoic acid
CID 54912541
4-O-(2-chloro-5-methylphenyl) 1-O-methyl butanedioate
CID 94271897
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
methyl 3-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoate
CID 106681057
N-ethyl-1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
CID 106681143
3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride
CID 58299502

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(2-methoxy-4,6-dimethylphenyl)phenyl] N-propan-2-ylcarbamate?
The IUPAC name of [2-chloro-5-(2-methoxy-4,6-dimethylphenyl)phenyl] N-propan-2-ylcarbamate (CID 11493997) is [2-chloro-5-(2-methoxy-4,6-dimethylphenyl)phenyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [2-chloro-5-(2-methoxy-4,6-dimethylphenyl)phenyl] N-propan-2-ylcarbamate?
The canonical SMILES for [2-chloro-5-(2-methoxy-4,6-dimethylphenyl)phenyl] N-propan-2-ylcarbamate is COc1cc(C)cc(C)c1-c1ccc(Cl)c(OC(=O)NC(C)C)c1.
What is the InChIKey of [2-chloro-5-(2-methoxy-4,6-dimethylphenyl)phenyl] N-propan-2-ylcarbamate?
The InChIKey is CDQCNAPSDSWFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-11(2)21-19(22)24-16-10-14(6-7-15(16)20)18-13(4)8-12(3)9-17(18)23-5/h6-11H,1-5H3,(H,21,22).
What are the key properties of [2-chloro-5-(2-methoxy-4,6-dimethylphenyl)phenyl] N-propan-2-ylcarbamate?
[2-chloro-5-(2-methoxy-4,6-dimethylphenyl)phenyl] N-propan-2-ylcarbamate has a molecular weight of 347.84 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(2-methoxy-4,6-dimethylphenyl)phenyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 11493997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).