4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide

C14H10Cl2N2O3 — CID 43346941

IUPAC4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(CCl)cc1
InChIInChI=1S/C14H10Cl2N2O3/c15-8-9-1-3-10(4-2-9)14(19)17-11-5-6-12(16)13(7-11)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyHYXXYGJIOBQYEU-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.24
Rot. Bonds4

About 4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide

4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide (PubChem CID 43346941) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide
PubChem CID43346941
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(CCl)cc1
InChIInChI=1S/C14H10Cl2N2O3/c15-8-9-1-3-10(4-2-9)14(19)17-11-5-6-12(16)13(7-11)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyHYXXYGJIOBQYEU-UHFFFAOYSA-N
XLogP4.24
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43708452
N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 1340842
4-chloro-N-[4-[[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3385354
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119387
4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 1366188
3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 103221361
N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide
CID 3351520
N-[4-[(4-chloro-3-nitrophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 60527960
N-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide
CID 575351
N-(4-butylphenyl)-4-chloro-3-nitrobenzamide
CID 3453151
5-[(4-chloro-3-nitrophenyl)carbamoyl]furan-2-carboxylic acid
CID 107812070

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide (CID 43346941) is 4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide is O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide?
The InChIKey is HYXXYGJIOBQYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-8-9-1-3-10(4-2-9)14(19)17-11-5-6-12(16)13(7-11)18(20)21/h1-7H,8H2,(H,17,19).
What are the key properties of 4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide?
4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide has a molecular weight of 325.15 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide is sourced from PubChem (CID 43346941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).