N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide

C16H16ClFN2O — CID 109021705

IUPACN-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide
SMILESO=C(CCNc1ccccc1F)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c17-13-7-5-12(6-8-13)11-20-16(21)9-10-19-15-4-2-1-3-14(15)18/h1-8,19H,9-11H2,(H,20,21)
InChIKeyULAOSQXFTJWGGJ-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.60
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide

N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide (PubChem CID 109021705) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide
PubChem CID109021705
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide
SMILESO=C(CCNc1ccccc1F)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c17-13-7-5-12(6-8-13)11-20-16(21)9-10-19-15-4-2-1-3-14(15)18/h1-8,19H,9-11H2,(H,20,21)
InChIKeyULAOSQXFTJWGGJ-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-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide
CID 109021782
N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide
CID 109021695
3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023536
3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide
CID 109021863
3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019162
N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
CID 109018753
3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 109021070
N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide
CID 133279513
3-(4-tert-butylanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 109021704
N-benzyl-3-(3,5-dichloroanilino)propanamide
CID 109018893
N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 54798222
3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027975

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide (CID 109021705) is N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide is O=C(CCNc1ccccc1F)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide?
The InChIKey is ULAOSQXFTJWGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c17-13-7-5-12(6-8-13)11-20-16(21)9-10-19-15-4-2-1-3-14(15)18/h1-8,19H,9-11H2,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide?
N-[(4-chlorophenyl)methyl]-3-(2-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-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide is sourced from PubChem (CID 109021705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).