4-[[4-amino-3-(4-chlorophenyl)butanoyl]amino]-2-fluorobenzamide

C17H17ClFN3O2 — CID 66601129

IUPAC4-[[4-amino-3-(4-chlorophenyl)butanoyl]amino]-2-fluorobenzamide
SMILESNCC(CC(=O)Nc1ccc(C(N)=O)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClFN3O2/c18-12-3-1-10(2-4-12)11(9-20)7-16(23)22-13-5-6-14(17(21)24)15(19)8-13/h1-6,8,11H,7,9,20H2,(H2,21,24)(H,22,23)
InChIKeySLHQWGKHNRXQKC-UHFFFAOYSA-N
MW349.79 g/mol
LogP2.65
Rot. Bonds6

About 4-[[4-amino-3-(4-chlorophenyl)butanoyl]amino]-2-fluorobenzamide

4-[[4-amino-3-(4-chlorophenyl)butanoyl]amino]-2-fluorobenzamide (PubChem CID 66601129) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is 4-[[4-amino-3-(4-chlorophenyl)butanoyl]amino]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[[4-amino-3-(4-chlorophenyl)butanoyl]amino]-2-fluorobenzamide
PubChem CID66601129
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC Name4-[[4-amino-3-(4-chlorophenyl)butanoyl]amino]-2-fluorobenzamide
SMILESNCC(CC(=O)Nc1ccc(C(N)=O)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClFN3O2/c18-12-3-1-10(2-4-12)11(9-20)7-16(23)22-13-5-6-14(17(21)24)15(19)8-13/h1-6,8,11H,7,9,20H2,(H2,21,24)(H,22,23)
InChIKeySLHQWGKHNRXQKC-UHFFFAOYSA-N
XLogP2.65
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-aminobutanoylamino)-2-fluorobenzamide
CID 60837810
5-(4-aminobutanoylamino)-2-fluorobenzamide
CID 43706573
3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 4869879
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672
2-amino-N-(3,4-difluorophenyl)acetamide
CID 2410802
4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide
CID 120591731
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
(5S)-6-amino-5-(4-chlorophenyl)-2-methylhexan-3-one
CID 159651143
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide
CID 82010894
2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
CID 9098972
5-(4-aminobutanoylamino)-2-chlorobenzamide
CID 43707268

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-3-(4-chlorophenyl)butanoyl]amino]-2-fluorobenzamide?
The IUPAC name of 4-[[4-amino-3-(4-chlorophenyl)butanoyl]amino]-2-fluorobenzamide (CID 66601129) is 4-[[4-amino-3-(4-chlorophenyl)butanoyl]amino]-2-fluorobenzamide.
What is the SMILES notation for 4-[[4-amino-3-(4-chlorophenyl)butanoyl]amino]-2-fluorobenzamide?
The canonical SMILES for 4-[[4-amino-3-(4-chlorophenyl)butanoyl]amino]-2-fluorobenzamide is NCC(CC(=O)Nc1ccc(C(N)=O)c(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[[4-amino-3-(4-chlorophenyl)butanoyl]amino]-2-fluorobenzamide?
The InChIKey is SLHQWGKHNRXQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c18-12-3-1-10(2-4-12)11(9-20)7-16(23)22-13-5-6-14(17(21)24)15(19)8-13/h1-6,8,11H,7,9,20H2,(H2,21,24)(H,22,23).
What are the key properties of 4-[[4-amino-3-(4-chlorophenyl)butanoyl]amino]-2-fluorobenzamide?
4-[[4-amino-3-(4-chlorophenyl)butanoyl]amino]-2-fluorobenzamide has a molecular weight of 349.79 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-3-(4-chlorophenyl)butanoyl]amino]-2-fluorobenzamide is sourced from PubChem (CID 66601129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).