1-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide;hydrochloride

C17H25Cl2N3O2 — CID 119311030

IUPAC1-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1c(Cl)cccc1NC(=O)CCNC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c1-12-13(18)6-5-7-14(12)21-15(22)8-11-20-16(23)17(19)9-3-2-4-10-17;/h5-7H,2-4,8-11,19H2,1H3,(H,20,23)(H,21,22);1H
InChIKeyRRGOBAYLMGRKHP-UHFFFAOYSA-N
MW374.31 g/mol
LogP3.18
Rot. Bonds5

About 1-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119311030) has the molecular formula C17H25Cl2N3O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is 1-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119311030
Molecular FormulaC17H25Cl2N3O2
Molecular Weight374.31 g/mol
Exact Mass373.13
IUPAC Name1-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1c(Cl)cccc1NC(=O)CCNC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c1-12-13(18)6-5-7-14(12)21-15(22)8-11-20-16(23)17(19)9-3-2-4-10-17;/h5-7H,2-4,8-11,19H2,1H3,(H,20,23)(H,21,22);1H
InChIKeyRRGOBAYLMGRKHP-UHFFFAOYSA-N
XLogP3.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64686310
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2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
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7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide
CID 119762063
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
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3-(1-adamantylcarbamoylamino)-N-(3-chloro-2-methylphenyl)propanamide
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CID 17080098
N-(3-chloro-2-methylphenyl)-3-[(N,N'-dimethylcarbamimidoyl)amino]propanamide
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2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide
CID 119762097

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide;hydrochloride (CID 119311030) is 1-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide;hydrochloride is Cc1c(Cl)cccc1NC(=O)CCNC(=O)C1(N)CCCCC1.Cl.
What is the InChIKey of 1-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is RRGOBAYLMGRKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2.ClH/c1-12-13(18)6-5-7-14(12)21-15(22)8-11-20-16(23)17(19)9-3-2-4-10-17;/h5-7H,2-4,8-11,19H2,1H3,(H,20,23)(H,21,22);1H.
What are the key properties of 1-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 374.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119311030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).