4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide

C16H22Cl2N2O — CID 43791661

IUPAC4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide
SMILESCCC(NC1CCC(C(N)=O)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-2-15(11-5-8-13(17)14(18)9-11)20-12-6-3-10(4-7-12)16(19)21/h5,8-10,12,15,20H,2-4,6-7H2,1H3,(H2,19,21)
InChIKeyGKDHMNCBGSXANH-UHFFFAOYSA-N
MW329.27 g/mol
LogP4.08
Rot. Bonds5

About 4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide

4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide (PubChem CID 43791661) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide
PubChem CID43791661
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide
SMILESCCC(NC1CCC(C(N)=O)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-2-15(11-5-8-13(17)14(18)9-11)20-12-6-3-10(4-7-12)16(19)21/h5,8-10,12,15,20H,2-4,6-7H2,1H3,(H2,19,21)
InChIKeyGKDHMNCBGSXANH-UHFFFAOYSA-N
XLogP4.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dichlorophenyl)propyl]-4-ethylcyclohexan-1-amine
CID 63454246
N-[1-(3,4-dichlorophenyl)propyl]-4-propylcyclohexan-1-amine
CID 63454990
N-[1-(3,4-dichlorophenyl)propyl]-3-methylcyclopentan-1-amine
CID 114543856
4-[[1-(3,4-dichlorophenyl)-3-methoxypropyl]amino]cyclohexane-1-carboxylic acid
CID 122034062
2-[1-(3,4-dichlorophenyl)propylamino]acetamide
CID 43754703
4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43748795
N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 65381340
4-[1-(3,4-dichlorophenyl)propylamino]butanamide
CID 60863213
N-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine
CID 43776540
4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide
CID 95274422
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
N-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide
CID 18626628

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide (CID 43791661) is 4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide is CCC(NC1CCC(C(N)=O)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide?
The InChIKey is GKDHMNCBGSXANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-2-15(11-5-8-13(17)14(18)9-11)20-12-6-3-10(4-7-12)16(19)21/h5,8-10,12,15,20H,2-4,6-7H2,1H3,(H2,19,21).
What are the key properties of 4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide?
4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide has a molecular weight of 329.27 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 43791661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).