2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide

C14H11ClF2N2O — CID 63794440

IUPAC2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
SMILESNc1cc(Cl)ccc1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C14H11ClF2N2O/c15-9-1-3-11(13(18)6-9)14(20)19-7-8-5-10(16)2-4-12(8)17/h1-6H,7,18H2,(H,19,20)
InChIKeyGGNUDTLYPLJNHF-UHFFFAOYSA-N
MW296.70 g/mol
LogP3.13
Rot. Bonds3

About 2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide

2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide (PubChem CID 63794440) has the molecular formula C14H11ClF2N2O and a molecular weight of 296.70 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
PubChem CID63794440
Molecular FormulaC14H11ClF2N2O
Molecular Weight296.70 g/mol
Exact Mass296.05
IUPAC Name2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
SMILESNc1cc(Cl)ccc1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C14H11ClF2N2O/c15-9-1-3-11(13(18)6-9)14(20)19-7-8-5-10(16)2-4-12(8)17/h1-6H,7,18H2,(H,19,20)
InChIKeyGGNUDTLYPLJNHF-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 53.13
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

2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide
CID 63794966
2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 62073957
2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
CID 79722261
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63373247
N-[(2,5-difluorophenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 79880980
2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide
CID 106899083
2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 63791914
N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107030046
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
CID 63372919
2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide
CID 63373106
2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 24707243

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide?
The IUPAC name of 2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide (CID 63794440) is 2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide?
The canonical SMILES for 2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide is Nc1cc(Cl)ccc1C(=O)NCc1cc(F)ccc1F.
What is the InChIKey of 2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide?
The InChIKey is GGNUDTLYPLJNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O/c15-9-1-3-11(13(18)6-9)14(20)19-7-8-5-10(16)2-4-12(8)17/h1-6H,7,18H2,(H,19,20).
What are the key properties of 2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide?
2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide has a molecular weight of 296.70 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide is sourced from PubChem (CID 63794440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).