2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide

C17H16ClFN2O2 — CID 7700839

IUPAC2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NCc1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O2/c18-15-4-2-1-3-14(15)17(23)20-10-9-16(22)21-11-12-5-7-13(19)8-6-12/h1-8H,9-11H2,(H,20,23)(H,21,22)
InChIKeyHMSUPXFJAKJYLZ-UHFFFAOYSA-N
MW334.78 g/mol
LogP2.92
Rot. Bonds6

About 2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide

2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide (PubChem CID 7700839) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
PubChem CID7700839
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NCc1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O2/c18-15-4-2-1-3-14(15)17(23)20-10-9-16(22)21-11-12-5-7-13(19)8-6-12/h1-8H,9-11H2,(H,20,23)(H,21,22)
InChIKeyHMSUPXFJAKJYLZ-UHFFFAOYSA-N
XLogP2.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
CID 9104877
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 2530960
2-chloro-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 2712751
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 2631895
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide
CID 109021705
N-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109021640
2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9480573

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide (CID 7700839) is 2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)NCc1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide?
The InChIKey is HMSUPXFJAKJYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c18-15-4-2-1-3-14(15)17(23)20-10-9-16(22)21-11-12-5-7-13(19)8-6-12/h1-8H,9-11H2,(H,20,23)(H,21,22).
What are the key properties of 2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide has a molecular weight of 334.78 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 7700839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).