4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide

C14H11BrCl2N2O — CID 104589264

IUPAC4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide
SMILESNC(=O)c1ccc(CNc2ccc(Br)c(Cl)c2Cl)cc1
InChIInChI=1S/C14H11BrCl2N2O/c15-10-5-6-11(13(17)12(10)16)19-7-8-1-3-9(4-2-8)14(18)20/h1-6,19H,7H2,(H2,18,20)
InChIKeyLRUZFMMGJFJDCH-UHFFFAOYSA-N
MW374.07 g/mol
LogP4.47
Rot. Bonds4

About 4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide

4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide (PubChem CID 104589264) has the molecular formula C14H11BrCl2N2O and a molecular weight of 374.07 g/mol. Its IUPAC name is 4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide
PubChem CID104589264
Molecular FormulaC14H11BrCl2N2O
Molecular Weight374.07 g/mol
Exact Mass371.94
IUPAC Name4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide
SMILESNC(=O)c1ccc(CNc2ccc(Br)c(Cl)c2Cl)cc1
InChIInChI=1S/C14H11BrCl2N2O/c15-10-5-6-11(13(17)12(10)16)19-7-8-1-3-9(4-2-8)14(18)20/h1-6,19H,7H2,(H2,18,20)
InChIKeyLRUZFMMGJFJDCH-UHFFFAOYSA-N
XLogP4.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.07
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-bromo-5-fluoroanilino)methyl]benzamide
CID 103750683
4-bromo-2,3-dichloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline
CID 107787631
4-[(4-chloro-2-methylanilino)methyl]benzamide
CID 43234717
4-[(naphthalen-1-ylamino)methyl]benzamide
CID 25344267
2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide
CID 107791301
4-[(3,4-dibromophenyl)methylamino]benzamide
CID 115753010
4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide
CID 107787000
4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide
CID 75446192
4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712
4-bromo-2,3-dichloro-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 107787508
3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide
CID 105401162
4-[(3,4-dichloroanilino)methyl]benzamide
CID 28577960

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide?
The IUPAC name of 4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide (CID 104589264) is 4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide.
What is the SMILES notation for 4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide?
The canonical SMILES for 4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide is NC(=O)c1ccc(CNc2ccc(Br)c(Cl)c2Cl)cc1.
What is the InChIKey of 4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide?
The InChIKey is LRUZFMMGJFJDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O/c15-10-5-6-11(13(17)12(10)16)19-7-8-1-3-9(4-2-8)14(18)20/h1-6,19H,7H2,(H2,18,20).
What are the key properties of 4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide?
4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide has a molecular weight of 374.07 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide is sourced from PubChem (CID 104589264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).