N-[(3-bromophenyl)methyl]-2-chloro-6-nitrobenzamide

C14H10BrClN2O3 — CID 63659649

IUPACN-[(3-bromophenyl)methyl]-2-chloro-6-nitrobenzamide
SMILESO=C(NCc1cccc(Br)c1)c1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H10BrClN2O3/c15-10-4-1-3-9(7-10)8-17-14(19)13-11(16)5-2-6-12(13)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyFAJHZBTTXQFCJO-UHFFFAOYSA-N
MW369.60 g/mol
LogP3.94
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-2-chloro-6-nitrobenzamide

N-[(3-bromophenyl)methyl]-2-chloro-6-nitrobenzamide (PubChem CID 63659649) has the molecular formula C14H10BrClN2O3 and a molecular weight of 369.60 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-chloro-6-nitrobenzamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-chloro-6-nitrobenzamide
PubChem CID63659649
Molecular FormulaC14H10BrClN2O3
Molecular Weight369.60 g/mol
Exact Mass367.96
IUPAC NameN-[(3-bromophenyl)methyl]-2-chloro-6-nitrobenzamide
SMILESO=C(NCc1cccc(Br)c1)c1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H10BrClN2O3/c15-10-4-1-3-9(7-10)8-17-14(19)13-11(16)5-2-6-12(13)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyFAJHZBTTXQFCJO-UHFFFAOYSA-N
XLogP3.94
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.60
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromophenyl)methyl]-3-fluoro-4-nitrobenzamide
CID 62681826
1-(3-bromophenyl)-N-[(4-chloro-3-nitrophenyl)methyl]methanamine
CID 78916588
N-(6-bromohexyl)-2-chloro-6-nitrobenzamide
CID 107847753
N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide
CID 63658381
N-[(3-bromophenyl)methyl]-5-(4-chlorophenyl)-3-nitro-1,2-oxazole-4-carboxamide
CID 162643751
2-chloro-N-(2-methylprop-2-enyl)-6-nitrobenzamide
CID 114618707
N-(3-bromo-2-methylpropyl)-2-chloro-6-nitrobenzamide
CID 113275303
N-[(4-bromocyclohexyl)methyl]-2-chloro-6-nitrobenzamide
CID 106134498
N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide
CID 24903437
N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-2-chloro-6-nitrobenzamide
CID 119523735

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-chloro-6-nitrobenzamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-chloro-6-nitrobenzamide (CID 63659649) is N-[(3-bromophenyl)methyl]-2-chloro-6-nitrobenzamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-chloro-6-nitrobenzamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-chloro-6-nitrobenzamide is O=C(NCc1cccc(Br)c1)c1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-chloro-6-nitrobenzamide?
The InChIKey is FAJHZBTTXQFCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O3/c15-10-4-1-3-9(7-10)8-17-14(19)13-11(16)5-2-6-12(13)18(20)21/h1-7H,8H2,(H,17,19).
What are the key properties of N-[(3-bromophenyl)methyl]-2-chloro-6-nitrobenzamide?
N-[(3-bromophenyl)methyl]-2-chloro-6-nitrobenzamide has a molecular weight of 369.60 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-chloro-6-nitrobenzamide is sourced from PubChem (CID 63659649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).