2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide

C13H18ClN3O — CID 102738776

IUPAC2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide
SMILESNC(=O)c1cc(Cl)ccc1N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C13H18ClN3O/c14-8-5-6-11(9(7-8)13(16)18)17-12-4-2-1-3-10(12)15/h5-7,10,12,17H,1-4,15H2,(H2,16,18)/t10-,12-/m1/s1
InChIKeyVEAILMWPMLWPPA-ZYHUDNBSSA-N
MW267.76 g/mol
LogP2.12
Rot. Bonds3

About 2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide

2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide (PubChem CID 102738776) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide.

Molecular Properties

Compound Name2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide
PubChem CID102738776
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide
SMILESNC(=O)c1cc(Cl)ccc1N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C13H18ClN3O/c14-8-5-6-11(9(7-8)13(16)18)17-12-4-2-1-3-10(12)15/h5-7,10,12,17H,1-4,15H2,(H2,16,18)/t10-,12-/m1/s1
InChIKeyVEAILMWPMLWPPA-ZYHUDNBSSA-N
XLogP2.12
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide
CID 63252319
5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid
CID 114178785
4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide
CID 63251907
4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide
CID 55169514
2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide
CID 63258411
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(4-chloroanilino)-5-fluoropyridine-3-carboxamide
CID 69285084
N-(2-aminocyclohexyl)-2,4-dichlorobenzamide
CID 54905526
4-[(2-aminocyclohexyl)amino]-2,3-difluorobenzoic acid
CID 79841267
N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide
CID 61037362
4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(ethylamino)benzamide
CID 122662881
trans-(1R,2R)-2-N-(3,6-dichloropyridazin-4-yl)cyclohexane-1,2-diamine
CID 102738784
6-[[(1R)-2-aminocyclohexyl]amino]-2-(3-chloro-5-fluoroanilino)-5-fluoropyridine-3-carboxamide
CID 129192471

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide?
The IUPAC name of 2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide (CID 102738776) is 2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide.
What is the SMILES notation for 2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide?
The canonical SMILES for 2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide is NC(=O)c1cc(Cl)ccc1N[C@@H]1CCCC[C@H]1N.
What is the InChIKey of 2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide?
The InChIKey is VEAILMWPMLWPPA-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-8-5-6-11(9(7-8)13(16)18)17-12-4-2-1-3-10(12)15/h5-7,10,12,17H,1-4,15H2,(H2,16,18)/t10-,12-/m1/s1.
What are the key properties of 2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide?
2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide has a molecular weight of 267.76 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide is sourced from PubChem (CID 102738776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).