N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide

C14H12ClFN2O — CID 107997588

IUPACN-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide
SMILESNc1ccccc1CNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H12ClFN2O/c15-11-6-5-9(7-12(11)16)14(19)18-8-10-3-1-2-4-13(10)17/h1-7H,8,17H2,(H,18,19)
InChIKeyKJSKBPQNMFPBOV-UHFFFAOYSA-N
MW278.71 g/mol
LogP2.99
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide

N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide (PubChem CID 107997588) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide
PubChem CID107997588
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC NameN-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide
SMILESNc1ccccc1CNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H12ClFN2O/c15-11-6-5-9(7-12(11)16)14(19)18-8-10-3-1-2-4-13(10)17/h1-7H,8,17H2,(H,18,19)
InChIKeyKJSKBPQNMFPBOV-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide
CID 107948816
N-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 103110367
4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide
CID 64681507
3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115732894
N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107987901
3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide
CID 61401723
2-(2-aminophenyl)-N-(4-chloro-3-fluorophenyl)acetamide
CID 61466448
4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 81307450
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide
CID 62849872
N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide
CID 82771924
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide (CID 107997588) is N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide is Nc1ccccc1CNC(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide?
The InChIKey is KJSKBPQNMFPBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-11-6-5-9(7-12(11)16)14(19)18-8-10-3-1-2-4-13(10)17/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide?
N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide has a molecular weight of 278.71 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide is sourced from PubChem (CID 107997588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).