N-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide

C16H16ClFN2O — CID 109021434

IUPACN-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide
SMILESO=C(CCNc1cccc(F)c1)NCc1ccccc1Cl
InChIInChI=1S/C16H16ClFN2O/c17-15-7-2-1-4-12(15)11-20-16(21)8-9-19-14-6-3-5-13(18)10-14/h1-7,10,19H,8-9,11H2,(H,20,21)
InChIKeyQKUNTFVFOIWKGX-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.60
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide

N-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide (PubChem CID 109021434) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide
PubChem CID109021434
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide
SMILESO=C(CCNc1cccc(F)c1)NCc1ccccc1Cl
InChIInChI=1S/C16H16ClFN2O/c17-15-7-2-1-4-12(15)11-20-16(21)8-9-19-14-6-3-5-13(18)10-14/h1-7,10,19H,8-9,11H2,(H,20,21)
InChIKeyQKUNTFVFOIWKGX-UHFFFAOYSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide
CID 109021465
N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 109021441
2-(3-fluoroanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31665741
3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019541
3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 109021435
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide
CID 109038643
N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342761
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019580
N-[(2-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161786
N-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109021431
N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109119784

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide (CID 109021434) is N-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide is O=C(CCNc1cccc(F)c1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide?
The InChIKey is QKUNTFVFOIWKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c17-15-7-2-1-4-12(15)11-20-16(21)8-9-19-14-6-3-5-13(18)10-14/h1-7,10,19H,8-9,11H2,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide?
N-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide has a molecular weight of 306.77 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide is sourced from PubChem (CID 109021434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).