2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide

C14H11ClN2O4 — CID 115598875

IUPAC2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide
SMILESO=C(NCc1ccccc1O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H11ClN2O4/c15-12-7-10(17(20)21)5-6-11(12)14(19)16-8-9-3-1-2-4-13(9)18/h1-7,18H,8H2,(H,16,19)
InChIKeyNNYUFXWHPZZFIK-UHFFFAOYSA-N
MW306.70 g/mol
LogP2.88
Rot. Bonds4

About 2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide

2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide (PubChem CID 115598875) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.70 g/mol. Its IUPAC name is 2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide
PubChem CID115598875
Molecular FormulaC14H11ClN2O4
Molecular Weight306.70 g/mol
Exact Mass306.04
IUPAC Name2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide
SMILESO=C(NCc1ccccc1O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H11ClN2O4/c15-12-7-10(17(20)21)5-6-11(12)14(19)16-8-9-3-1-2-4-13(9)18/h1-7,18H,8H2,(H,16,19)
InChIKeyNNYUFXWHPZZFIK-UHFFFAOYSA-N
XLogP2.88
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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

2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide
CID 4827643
[2-[[(2-chloro-4-nitrobenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9073119
2,3-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide
CID 17404036
2-chloro-N-[(2-fluorophenyl)methyl]-5-nitrobenzamide
CID 4794287
2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 773667
N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide
CID 38898126
N-[2-(carbamoylamino)ethyl]-2-chloro-4-nitrobenzamide
CID 78993882
2-chloro-4-nitro-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
CID 31925933
2-chloro-4-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 8836733
2,5-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]thiophene-3-carboxamide
CID 17415401
N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide
CID 9209754
2-chloro-N-[2-(methylamino)ethyl]-4-nitrobenzamide
CID 119501030

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide (CID 115598875) is 2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide is O=C(NCc1ccccc1O)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide?
The InChIKey is NNYUFXWHPZZFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c15-12-7-10(17(20)21)5-6-11(12)14(19)16-8-9-3-1-2-4-13(9)18/h1-7,18H,8H2,(H,16,19).
What are the key properties of 2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide?
2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide has a molecular weight of 306.70 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide is sourced from PubChem (CID 115598875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).