N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-fluorobenzamide

C15H13ClFN3O2 — CID 39184440

IUPACN-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-fluorobenzamide
SMILESNCC(=O)Nc1cc(NC(=O)c2ccccc2F)ccc1Cl
InChIInChI=1S/C15H13ClFN3O2/c16-11-6-5-9(7-13(11)20-14(21)8-18)19-15(22)10-3-1-2-4-12(10)17/h1-7H,8,18H2,(H,19,22)(H,20,21)
InChIKeyMWJIHHABFXPIKY-UHFFFAOYSA-N
MW321.74 g/mol
LogP2.63
Rot. Bonds4

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

N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-fluorobenzamide (PubChem CID 39184440) has the molecular formula C15H13ClFN3O2 and a molecular weight of 321.74 g/mol. Its IUPAC name is N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-fluorobenzamide
PubChem CID39184440
Molecular FormulaC15H13ClFN3O2
Molecular Weight321.74 g/mol
Exact Mass321.07
IUPAC NameN-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-fluorobenzamide
SMILESNCC(=O)Nc1cc(NC(=O)c2ccccc2F)ccc1Cl
InChIInChI=1S/C15H13ClFN3O2/c16-11-6-5-9(7-13(11)20-14(21)8-18)19-15(22)10-3-1-2-4-12(10)17/h1-7H,8,18H2,(H,19,22)(H,20,21)
InChIKeyMWJIHHABFXPIKY-UHFFFAOYSA-N
XLogP2.63
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-benzamido-4-chlorophenyl)-2-fluorobenzamide
CID 1104031
N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide
CID 39185468
N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide
CID 39184468
N-(2-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 113231148
4-chloro-3-[[2-[4-[(2-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 23095254
N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 16730638
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-chlorobenzamide
CID 39184820
3-amino-N-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]propanamide
CID 82034449
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-fluorobenzamide?
The IUPAC name of N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-fluorobenzamide (CID 39184440) is N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-fluorobenzamide?
The canonical SMILES for N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-fluorobenzamide is NCC(=O)Nc1cc(NC(=O)c2ccccc2F)ccc1Cl.
What is the InChIKey of N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-fluorobenzamide?
The InChIKey is MWJIHHABFXPIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2/c16-11-6-5-9(7-13(11)20-14(21)8-18)19-15(22)10-3-1-2-4-12(10)17/h1-7H,8,18H2,(H,19,22)(H,20,21).
What are the key properties of N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-fluorobenzamide?
N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-fluorobenzamide has a molecular weight of 321.74 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-fluorobenzamide is sourced from PubChem (CID 39184440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).