3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride

C16H24Cl2N2O2 — CID 119725658

IUPAC3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCCOc1ccc(Cl)cc1NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-2-8-21-15-7-6-12(17)10-14(15)19-16(20)11-4-3-5-13(18)9-11;/h6-7,10-11,13H,2-5,8-9,18H2,1H3,(H,19,20);1H
InChIKeyCMTAGHUWQJFMTR-UHFFFAOYSA-N
MW347.29 g/mol
LogP4.01
Rot. Bonds5

About 3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119725658) has the molecular formula C16H24Cl2N2O2 and a molecular weight of 347.29 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119725658
Molecular FormulaC16H24Cl2N2O2
Molecular Weight347.29 g/mol
Exact Mass346.12
IUPAC Name3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCCOc1ccc(Cl)cc1NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-2-8-21-15-7-6-12(17)10-14(15)19-16(20)11-4-3-5-13(18)9-11;/h6-7,10-11,13H,2-5,8-9,18H2,1H3,(H,19,20);1H
InChIKeyCMTAGHUWQJFMTR-UHFFFAOYSA-N
XLogP4.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride 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

3-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119773171
3-amino-N-(4-methyl-2-propoxyphenyl)cyclohexane-1-carboxamide
CID 63042176
3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119743204
3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119816560
2-[(3-aminocyclohexanecarbonyl)amino]-4-chlorobenzoic acid
CID 63046093
3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119688642
3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 63045073
3-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)cyclohexane-1-carboxamide
CID 63043774
3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide
CID 119739551
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119702541
3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119686949
3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119745061

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119725658) is 3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride is CCCOc1ccc(Cl)cc1NC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is CMTAGHUWQJFMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2.ClH/c1-2-8-21-15-7-6-12(17)10-14(15)19-16(20)11-4-3-5-13(18)9-11;/h6-7,10-11,13H,2-5,8-9,18H2,1H3,(H,19,20);1H.
What are the key properties of 3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 347.29 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119725658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).