N-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide

C15H21FN2O — CID 54862921

IUPACN-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NCC2CCCCC2)ccc1F
InChIInChI=1S/C15H21FN2O/c1-11(19)18-15-9-13(7-8-14(15)16)17-10-12-5-3-2-4-6-12/h7-9,12,17H,2-6,10H2,1H3,(H,18,19)
InChIKeyXNCZGVAVOJZDGM-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.78
Rot. Bonds4

About N-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide

N-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide (PubChem CID 54862921) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide
PubChem CID54862921
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NCC2CCCCC2)ccc1F
InChIInChI=1S/C15H21FN2O/c1-11(19)18-15-9-13(7-8-14(15)16)17-10-12-5-3-2-4-6-12/h7-9,12,17H,2-6,10H2,1H3,(H,18,19)
InChIKeyXNCZGVAVOJZDGM-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide
CID 62069998
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
N-(cyclopentylmethyl)-3,4-difluoroaniline
CID 61344637
3-chloro-N-(cyclooctylmethyl)-4-fluoroaniline
CID 114207702
(3S)-4-(5-acetamido-2-fluoroanilino)-3-cyclohexyl-3-methyl-4-oxobutanoic acid
CID 99773752
N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
CID 75469999
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone
CID 104528374
N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide
CID 64822591
N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide
CID 47162368
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
5-(cyclohexylmethylamino)-2-fluorobenzonitrile
CID 62317493

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide (CID 54862921) is N-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide is CC(=O)Nc1cc(NCC2CCCCC2)ccc1F.
What is the InChIKey of N-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide?
The InChIKey is XNCZGVAVOJZDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(19)18-15-9-13(7-8-14(15)16)17-10-12-5-3-2-4-6-12/h7-9,12,17H,2-6,10H2,1H3,(H,18,19).
What are the key properties of N-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide?
N-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide has a molecular weight of 264.34 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide is sourced from PubChem (CID 54862921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).