N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]cyclohexanecarboxamide

C15H20ClN3O2 — CID 39186036

IUPACN-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]cyclohexanecarboxamide
SMILESNCC(=O)Nc1ccc(NC(=O)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c16-12-8-11(18-14(20)9-17)6-7-13(12)19-15(21)10-4-2-1-3-5-10/h6-8,10H,1-5,9,17H2,(H,18,20)(H,19,21)
InChIKeyYXRJLMDOCVGEIQ-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.76
Rot. Bonds4

About N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]cyclohexanecarboxamide

N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]cyclohexanecarboxamide (PubChem CID 39186036) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]cyclohexanecarboxamide
PubChem CID39186036
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]cyclohexanecarboxamide
SMILESNCC(=O)Nc1ccc(NC(=O)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c16-12-8-11(18-14(20)9-17)6-7-13(12)19-15(21)10-4-2-1-3-5-10/h6-8,10H,1-5,9,17H2,(H,18,20)(H,19,21)
InChIKeyYXRJLMDOCVGEIQ-UHFFFAOYSA-N
XLogP2.76
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide
CID 82034974
N-(3-chloro-4-iodophenyl)cyclohexanecarboxamide
CID 166607238
(1R,6R)-6-[[3-chloro-4-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7366451
(1S,2S,3S,4R)-3-[[3-chloro-4-(cyclohexanecarbonylamino)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51007758
(1R,2S,3R,4S)-3-[[3-chloro-4-(cyclohexanecarbonylamino)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11900213
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cycloheptanecarboxamide
CID 107809919
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-(4-chloro-3-hydroxyphenyl)cyclooctanecarboxamide
CID 65023340
N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 18907642
N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide
CID 47408126

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]cyclohexanecarboxamide (CID 39186036) is N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]cyclohexanecarboxamide is NCC(=O)Nc1ccc(NC(=O)C2CCCCC2)c(Cl)c1.
What is the InChIKey of N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]cyclohexanecarboxamide?
The InChIKey is YXRJLMDOCVGEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-12-8-11(18-14(20)9-17)6-7-13(12)19-15(21)10-4-2-1-3-5-10/h6-8,10H,1-5,9,17H2,(H,18,20)(H,19,21).
What are the key properties of N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]cyclohexanecarboxamide?
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]cyclohexanecarboxamide has a molecular weight of 309.80 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]cyclohexanecarboxamide is sourced from PubChem (CID 39186036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).