methyl 3-chloro-2-(cyclohexylamino)benzoate

C14H18ClNO2 — CID 643290

IUPACmethyl 3-chloro-2-(cyclohexylamino)benzoate
SMILESCOC(=O)c1cccc(Cl)c1NC1CCCCC1
InChIInChI=1S/C14H18ClNO2/c1-18-14(17)11-8-5-9-12(15)13(11)16-10-6-3-2-4-7-10/h5,8-10,16H,2-4,6-7H2,1H3
InChIKeyDJJQEXPQQBLWBO-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.87
Rot. Bonds3

About methyl 3-chloro-2-(cyclohexylamino)benzoate

methyl 3-chloro-2-(cyclohexylamino)benzoate (PubChem CID 643290) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is methyl 3-chloro-2-(cyclohexylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-chloro-2-(cyclohexylamino)benzoate
PubChem CID643290
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Namemethyl 3-chloro-2-(cyclohexylamino)benzoate
SMILESCOC(=O)c1cccc(Cl)c1NC1CCCCC1
InChIInChI=1S/C14H18ClNO2/c1-18-14(17)11-8-5-9-12(15)13(11)16-10-6-3-2-4-7-10/h5,8-10,16H,2-4,6-7H2,1H3
InChIKeyDJJQEXPQQBLWBO-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-chloro-2-(cyclohexylamino)benzoate 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

2,6-dichloro-N-cyclohexylaniline
CID 65469917
methyl 2-amino-3-(cyclooctylamino)benzoate
CID 115544352
methyl 2-chloro-5-(cyclopentylamino)benzoate
CID 43672677
methyl 3-amino-2-[(2-methylcycloheptyl)amino]benzoate
CID 115935200
methyl 3-amino-5-chloro-4-(cyclohexylamino)benzoate
CID 56773060
2-(cyclooctylamino)-3-methylbenzoic acid
CID 107111851
methyl 3-amino-2-(2,6-dichloroanilino)benzoate
CID 115935177
methyl 3,5-dibromo-2-(cyclooctylamino)benzoate
CID 63451936
methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 169373285
methyl 2-(cyclopropylamino)benzoate
CID 83697867
methyl 2-cyclohexyloxybenzoate
CID 11345342
cyclohexane;methyl 2-chloropyridine-3-carboxylate
CID 175229380

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-2-(cyclohexylamino)benzoate?
The IUPAC name of methyl 3-chloro-2-(cyclohexylamino)benzoate (CID 643290) is methyl 3-chloro-2-(cyclohexylamino)benzoate.
What is the SMILES notation for methyl 3-chloro-2-(cyclohexylamino)benzoate?
The canonical SMILES for methyl 3-chloro-2-(cyclohexylamino)benzoate is COC(=O)c1cccc(Cl)c1NC1CCCCC1.
What is the InChIKey of methyl 3-chloro-2-(cyclohexylamino)benzoate?
The InChIKey is DJJQEXPQQBLWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-18-14(17)11-8-5-9-12(15)13(11)16-10-6-3-2-4-7-10/h5,8-10,16H,2-4,6-7H2,1H3.
What are the key properties of methyl 3-chloro-2-(cyclohexylamino)benzoate?
methyl 3-chloro-2-(cyclohexylamino)benzoate has a molecular weight of 267.76 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-2-(cyclohexylamino)benzoate is sourced from PubChem (CID 643290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).