2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide

C13H16ClFN2O — CID 54889480

IUPAC2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide
SMILESCC(NCC1CC1)(C(N)=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H16ClFN2O/c1-13(12(16)18,17-7-8-2-3-8)9-4-5-11(15)10(14)6-9/h4-6,8,17H,2-3,7H2,1H3,(H2,16,18)
InChIKeyMWPIMDKFHYQQBX-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.18
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide

2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide (PubChem CID 54889480) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide
PubChem CID54889480
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide
SMILESCC(NCC1CC1)(C(N)=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H16ClFN2O/c1-13(12(16)18,17-7-8-2-3-8)9-4-5-11(15)10(14)6-9/h4-6,8,17H,2-3,7H2,1H3,(H2,16,18)
InChIKeyMWPIMDKFHYQQBX-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid
CID 61001713
2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891418
2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid
CID 61002092
methyl 2-(cyclopropylmethylamino)-2-(2,4-dichloro-5-fluorophenyl)propanoate
CID 61001613
2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide
CID 60996580
2-(cyclopropylmethylamino)-2-(2,4,6-trimethylphenyl)propanamide
CID 54889665
2-(5-bromofuran-2-yl)-2-(cyclopropylmethylamino)propanamide
CID 104653364
2-(3-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 61340503
2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
CID 119810317
methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate
CID 61001353
methyl 2-(cyclopropylmethylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 61002805
2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide
CID 62540328

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide (CID 54889480) is 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide is CC(NCC1CC1)(C(N)=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide?
The InChIKey is MWPIMDKFHYQQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-13(12(16)18,17-7-8-2-3-8)9-4-5-11(15)10(14)6-9/h4-6,8,17H,2-3,7H2,1H3,(H2,16,18).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide?
2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide has a molecular weight of 270.73 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide is sourced from PubChem (CID 54889480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).