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

C15H14ClFN2O — CID 103110367

IUPACN-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide
SMILESCc1c(N)cccc1CNC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14ClFN2O/c1-9-11(3-2-4-14(9)18)8-19-15(20)10-5-6-13(17)12(16)7-10/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyDQYWXXUGORJYDM-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.30
Rot. Bonds3

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

N-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide (PubChem CID 103110367) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide
PubChem CID103110367
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide
SMILESCc1c(N)cccc1CNC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14ClFN2O/c1-9-11(3-2-4-14(9)18)8-19-15(20)10-5-6-13(17)12(16)7-10/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyDQYWXXUGORJYDM-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.30
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

3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115732894
N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107997588
N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide
CID 103110241
N-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide
CID 106500148
N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide
CID 103110309
N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
CID 82880028
3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 81421879
N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide
CID 107948816
N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide
CID 103110206
5-[[(3-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 82873027
N-[(3-amino-4-methoxyphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 82873015
4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide
CID 64681507

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide?
The IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide (CID 103110367) is N-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide?
The canonical SMILES for N-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide is Cc1c(N)cccc1CNC(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide?
The InChIKey is DQYWXXUGORJYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9-11(3-2-4-14(9)18)8-19-15(20)10-5-6-13(17)12(16)7-10/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of N-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide?
N-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide has a molecular weight of 292.74 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide is sourced from PubChem (CID 103110367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).