N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide

C15H20FN3O2 — CID 64822591

IUPACN-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2CCCCC2N)ccc1F
InChIInChI=1S/C15H20FN3O2/c1-9(20)18-14-8-10(6-7-12(14)16)19-15(21)11-4-2-3-5-13(11)17/h6-8,11,13H,2-5,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyDXKRFXJHUJPCJN-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.24
Rot. Bonds3

About N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide

N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide (PubChem CID 64822591) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide
PubChem CID64822591
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2CCCCC2N)ccc1F
InChIInChI=1S/C15H20FN3O2/c1-9(20)18-14-8-10(6-7-12(14)16)19-15(21)11-4-2-3-5-13(11)17/h6-8,11,13H,2-5,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyDXKRFXJHUJPCJN-UHFFFAOYSA-N
XLogP2.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 87002288
2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64822915
5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide
CID 64824712
2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64824097
N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide
CID 64824304
cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 163395275
2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64822720
3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 64823949
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
CID 119702825
N-(5-acetamido-2-methoxyphenyl)-2-aminocyclopentane-1-carboxamide
CID 64824915
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide (CID 64822591) is N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide is CC(=O)Nc1cc(NC(=O)C2CCCCC2N)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide?
The InChIKey is DXKRFXJHUJPCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-9(20)18-14-8-10(6-7-12(14)16)19-15(21)11-4-2-3-5-13(11)17/h6-8,11,13H,2-5,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide?
N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide is sourced from PubChem (CID 64822591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).