2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide

C14H20ClN3O — CID 79111094

IUPAC2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide
SMILESCNC1CCC(Nc2ccc(C(N)=O)c(Cl)c2)CC1
InChIInChI=1S/C14H20ClN3O/c1-17-9-2-4-10(5-3-9)18-11-6-7-12(14(16)19)13(15)8-11/h6-10,17-18H,2-5H2,1H3,(H2,16,19)
InChIKeyGMSDMOAXIJACFJ-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.38
Rot. Bonds4

About 2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide

2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide (PubChem CID 79111094) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide
PubChem CID79111094
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide
SMILESCNC1CCC(Nc2ccc(C(N)=O)c(Cl)c2)CC1
InChIInChI=1S/C14H20ClN3O/c1-17-9-2-4-10(5-3-9)18-11-6-7-12(14(16)19)13(15)8-11/h6-10,17-18H,2-5H2,1H3,(H2,16,19)
InChIKeyGMSDMOAXIJACFJ-UHFFFAOYSA-N
XLogP2.38
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43736418
2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide
CID 64501725
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2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide
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2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide
CID 43736506
2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide
CID 115348892
2-chloro-4-(oxan-4-ylamino)benzenecarbothioamide
CID 62948116
4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide
CID 55152995
2-chloro-4-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101995
2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide
CID 81251727
2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid
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4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide
CID 43784539

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide?
The IUPAC name of 2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide (CID 79111094) is 2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide.
What is the SMILES notation for 2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide?
The canonical SMILES for 2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide is CNC1CCC(Nc2ccc(C(N)=O)c(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide?
The InChIKey is GMSDMOAXIJACFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-17-9-2-4-10(5-3-9)18-11-6-7-12(14(16)19)13(15)8-11/h6-10,17-18H,2-5H2,1H3,(H2,16,19).
What are the key properties of 2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide?
2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide has a molecular weight of 281.79 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide is sourced from PubChem (CID 79111094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).