2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide

C13H8Cl3FN2O — CID 107571179

IUPAC2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C13H8Cl3FN2O/c14-6-1-2-8(11(18)3-6)13(20)19-7-4-9(15)12(17)10(16)5-7/h1-5H,18H2,(H,19,20)
InChIKeyDSVDQIBQHFAKGE-UHFFFAOYSA-N
MW333.58 g/mol
LogP4.62
Rot. Bonds2

About 2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide

2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide (PubChem CID 107571179) has the molecular formula C13H8Cl3FN2O and a molecular weight of 333.58 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
PubChem CID107571179
Molecular FormulaC13H8Cl3FN2O
Molecular Weight333.58 g/mol
Exact Mass331.97
IUPAC Name2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C13H8Cl3FN2O/c14-6-1-2-8(11(18)3-6)13(20)19-7-4-9(15)12(17)10(16)5-7/h1-5H,18H2,(H,19,20)
InChIKeyDSVDQIBQHFAKGE-UHFFFAOYSA-N
XLogP4.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.58
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 16783519
2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide
CID 107578408
4-[(2-amino-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 62057564
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738
2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 114052632
5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 107571202
2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide
CID 61074997
2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 43168358
4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 107578409
2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide
CID 62058536
2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide
CID 80504103
4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571216

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide (CID 107571179) is 2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide is Nc1cc(Cl)ccc1C(=O)Nc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide?
The InChIKey is DSVDQIBQHFAKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3FN2O/c14-6-1-2-8(11(18)3-6)13(20)19-7-4-9(15)12(17)10(16)5-7/h1-5H,18H2,(H,19,20).
What are the key properties of 2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide?
2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide has a molecular weight of 333.58 g/mol, XLogP of 4.62, 2 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-(3,5-dichloro-4-fluorophenyl)benzamide is sourced from PubChem (CID 107571179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).