N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide

C15H13ClF2N2O — CID 43549697

IUPACN-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide
SMILESCN(Cc1cc(N)ccc1Cl)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13ClF2N2O/c1-20(8-10-6-11(19)3-4-12(10)16)15(21)9-2-5-13(17)14(18)7-9/h2-7H,8,19H2,1H3
InChIKeyIWPZPKWGXPJIEW-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.47
Rot. Bonds3

About N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide

N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide (PubChem CID 43549697) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide
PubChem CID43549697
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC NameN-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide
SMILESCN(Cc1cc(N)ccc1Cl)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13ClF2N2O/c1-20(8-10-6-11(19)3-4-12(10)16)15(21)9-2-5-13(17)14(18)7-9/h2-7H,8,19H2,1H3
InChIKeyIWPZPKWGXPJIEW-UHFFFAOYSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
CID 81453152
N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide
CID 60922987
methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
CID 43551425
3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 61117248
N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide
CID 28894090
N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43549722
3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60937650
4-chloro-3-fluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 103876616
N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63183664
N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide
CID 82880148
4-chloro-3-fluoro-N-methyl-N-prop-2-ynylbenzamide
CID 100610965
N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide
CID 62588977

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide?
The IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide (CID 43549697) is N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide?
The canonical SMILES for N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide is CN(Cc1cc(N)ccc1Cl)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide?
The InChIKey is IWPZPKWGXPJIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c1-20(8-10-6-11(19)3-4-12(10)16)15(21)9-2-5-13(17)14(18)7-9/h2-7H,8,19H2,1H3.
What are the key properties of N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide?
N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide has a molecular weight of 310.73 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 43549697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).