N-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide

C14H18ClFN2O — CID 130299585

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide
SMILESCC(NCC(=O)NCc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C14H18ClFN2O/c1-9(10-5-6-10)17-8-13(19)18-7-11-3-2-4-12(15)14(11)16/h2-4,9-10,17H,5-8H2,1H3,(H,18,19)
InChIKeyMSKMWODTOTWUTL-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.48
Rot. Bonds6

About N-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide

N-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide (PubChem CID 130299585) 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-(1-cyclopropylethylamino)acetamide.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide
PubChem CID130299585
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide
SMILESCC(NCC(=O)NCc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C14H18ClFN2O/c1-9(10-5-6-10)17-8-13(19)18-7-11-3-2-4-12(15)14(11)16/h2-4,9-10,17H,5-8H2,1H3,(H,18,19)
InChIKeyMSKMWODTOTWUTL-UHFFFAOYSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide
CID 130300052
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide
CID 130299685
N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide
CID 130299984
N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine
CID 115695890
2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide
CID 115695872
(2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide
CID 130299690
N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide
CID 166957676
N-[(3-chloro-2-fluorophenyl)methyl]pentanamide
CID 156569845
3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 103456031
(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 129395726
N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide
CID 115695815
(2R)-2-[(3-chloro-2-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 120511133

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide (CID 130299585) is N-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide is CC(NCC(=O)NCc1cccc(Cl)c1F)C1CC1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide?
The InChIKey is MSKMWODTOTWUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-9(10-5-6-10)17-8-13(19)18-7-11-3-2-4-12(15)14(11)16/h2-4,9-10,17H,5-8H2,1H3,(H,18,19).
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide?
N-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide has a molecular weight of 284.76 g/mol, XLogP of 2.48, 6 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-(1-cyclopropylethylamino)acetamide is sourced from PubChem (CID 130299585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).