N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide

C14H18ClFN2O — CID 130300052

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide
SMILESO=C(CNC1CCCC1)NCc1cccc(Cl)c1F
InChIInChI=1S/C14H18ClFN2O/c15-12-7-3-4-10(14(12)16)8-18-13(19)9-17-11-5-1-2-6-11/h3-4,7,11,17H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyNINUKFQNCUSRMH-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.63
Rot. Bonds5

About N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide

N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide (PubChem CID 130300052) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide
PubChem CID130300052
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide
SMILESO=C(CNC1CCCC1)NCc1cccc(Cl)c1F
InChIInChI=1S/C14H18ClFN2O/c15-12-7-3-4-10(14(12)16)8-18-13(19)9-17-11-5-1-2-6-11/h3-4,7,11,17H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyNINUKFQNCUSRMH-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide
CID 130299984
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide
CID 130299685
N-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide
CID 130299585
4-[(3-chloro-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 114489051
N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide
CID 166957676
2-(cyclopentylamino)-N-[(2,5-difluorophenyl)methyl]acetamide
CID 63793411
N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide
CID 109021356
N-benzyl-2-(cyclopentylamino)acetamide
CID 43084459
N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide
CID 9265296
N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide
CID 115695815
trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 139576412

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide (CID 130300052) is N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide is O=C(CNC1CCCC1)NCc1cccc(Cl)c1F.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide?
The InChIKey is NINUKFQNCUSRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c15-12-7-3-4-10(14(12)16)8-18-13(19)9-17-11-5-1-2-6-11/h3-4,7,11,17H,1-2,5-6,8-9H2,(H,18,19).
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide?
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide has a molecular weight of 284.76 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide is sourced from PubChem (CID 130300052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).