N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide

C16H15ClFN3O2 — CID 82034776

IUPACN-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide
SMILESNCCC(=O)Nc1cc(Cl)ccc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C16H15ClFN3O2/c17-11-4-5-13(14(9-11)20-15(22)6-7-19)21-16(23)10-2-1-3-12(18)8-10/h1-5,8-9H,6-7,19H2,(H,20,22)(H,21,23)
InChIKeyAFGZCHMKVGSUJD-UHFFFAOYSA-N
MW335.77 g/mol
LogP3.02
Rot. Bonds5

About N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide

N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide (PubChem CID 82034776) has the molecular formula C16H15ClFN3O2 and a molecular weight of 335.77 g/mol. Its IUPAC name is N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide
PubChem CID82034776
Molecular FormulaC16H15ClFN3O2
Molecular Weight335.77 g/mol
Exact Mass335.08
IUPAC NameN-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide
SMILESNCCC(=O)Nc1cc(Cl)ccc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C16H15ClFN3O2/c17-11-4-5-13(14(9-11)20-15(22)6-7-19)21-16(23)10-2-1-3-12(18)8-10/h1-5,8-9H,6-7,19H2,(H,20,22)(H,21,23)
InChIKeyAFGZCHMKVGSUJD-UHFFFAOYSA-N
XLogP3.02
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide
CID 82034350
N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 55645358
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide
CID 39185722
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide
CID 39184018
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide
CID 113001247
N-[2-[(2-aminoacetyl)amino]-4-chlorophenyl]-4-chlorobenzamide
CID 39192788
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide
CID 39186063
N-[2-[(2-aminoacetyl)amino]phenyl]-3-chlorobenzamide
CID 39184246
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide
CID 113001009
3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide
CID 43438538
3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide
CID 172831894

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide (CID 82034776) is N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide is NCCC(=O)Nc1cc(Cl)ccc1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide?
The InChIKey is AFGZCHMKVGSUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O2/c17-11-4-5-13(14(9-11)20-15(22)6-7-19)21-16(23)10-2-1-3-12(18)8-10/h1-5,8-9H,6-7,19H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide?
N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide has a molecular weight of 335.77 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide is sourced from PubChem (CID 82034776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).