N-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide

C14H10ClF2N3O2 — CID 86041149

IUPACN-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide
SMILESNc1cc(F)cc(NC(=O)NC(=O)c2ccccc2Cl)c1F
InChIInChI=1S/C14H10ClF2N3O2/c15-9-4-2-1-3-8(9)13(21)20-14(22)19-11-6-7(16)5-10(18)12(11)17/h1-6H,18H2,(H2,19,20,21,22)
InChIKeyXUXPYBKEXGVDEJ-UHFFFAOYSA-N
MW325.70 g/mol
LogP3.16
Rot. Bonds2

About N-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide

N-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide (PubChem CID 86041149) has the molecular formula C14H10ClF2N3O2 and a molecular weight of 325.70 g/mol. Its IUPAC name is N-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide
PubChem CID86041149
Molecular FormulaC14H10ClF2N3O2
Molecular Weight325.70 g/mol
Exact Mass325.04
IUPAC NameN-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide
SMILESNc1cc(F)cc(NC(=O)NC(=O)c2ccccc2Cl)c1F
InChIInChI=1S/C14H10ClF2N3O2/c15-9-4-2-1-3-8(9)13(21)20-14(22)19-11-6-7(16)5-10(18)12(11)17/h1-6H,18H2,(H2,19,20,21,22)
InChIKeyXUXPYBKEXGVDEJ-UHFFFAOYSA-N
XLogP3.16
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.70
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide
CID 86041132
2-chloro-N-[[2,3-difluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 19905527
2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide
CID 115540640
N-(2-amino-4-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81265128
3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide
CID 107121554
N-(2-aminophenyl)-2-chlorobenzamide
CID 684680
2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide
CID 14600661
2-amino-N-[(2-bromophenyl)carbamoyl]benzamide
CID 108868802
2-amino-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid
CID 11544848
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
3-amino-N-(4-bromo-2-chlorophenyl)-2,5-difluorobenzamide
CID 107120481

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide?
The IUPAC name of N-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide (CID 86041149) is N-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide.
What is the SMILES notation for N-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide?
The canonical SMILES for N-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide is Nc1cc(F)cc(NC(=O)NC(=O)c2ccccc2Cl)c1F.
What is the InChIKey of N-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide?
The InChIKey is XUXPYBKEXGVDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3O2/c15-9-4-2-1-3-8(9)13(21)20-14(22)19-11-6-7(16)5-10(18)12(11)17/h1-6H,18H2,(H2,19,20,21,22).
What are the key properties of N-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide?
N-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide has a molecular weight of 325.70 g/mol, XLogP of 3.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide is sourced from PubChem (CID 86041149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).