2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide

C15H22ClN3O — CID 79730315

IUPAC2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NC1CCC(N)CC1
InChIInChI=1S/C15H22ClN3O/c1-19(2)15(20)13-8-3-10(16)9-14(13)18-12-6-4-11(17)5-7-12/h3,8-9,11-12,18H,4-7,17H2,1-2H3
InChIKeyGXZXLKOTPBMFFD-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.72
Rot. Bonds3

About 2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide

2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide (PubChem CID 79730315) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide
PubChem CID79730315
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NC1CCC(N)CC1
InChIInChI=1S/C15H22ClN3O/c1-19(2)15(20)13-8-3-10(16)9-14(13)18-12-6-4-11(17)5-7-12/h3,8-9,11-12,18H,4-7,17H2,1-2H3
InChIKeyGXZXLKOTPBMFFD-UHFFFAOYSA-N
XLogP2.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide?
The IUPAC name of 2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide (CID 79730315) is 2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)cc1NC1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide?
The InChIKey is GXZXLKOTPBMFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-19(2)15(20)13-8-3-10(16)9-14(13)18-12-6-4-11(17)5-7-12/h3,8-9,11-12,18H,4-7,17H2,1-2H3.
What are the key properties of 2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide?
2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide has a molecular weight of 295.81 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 79730315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).