N-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide

C15H14N2O4 — CID 53412405

IUPACN-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide
SMILESCC(=O)NC(c1ccc([N+](=O)[O-])cc1)c1ccccc1O
InChIInChI=1S/C15H14N2O4/c1-10(18)16-15(13-4-2-3-5-14(13)19)11-6-8-12(9-7-11)17(20)21/h2-9,15,19H,1H3,(H,16,18)
InChIKeyIQIXCWQBVBEBGJ-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.53
Rot. Bonds4

About N-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide

N-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide (PubChem CID 53412405) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide
PubChem CID53412405
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide
SMILESCC(=O)NC(c1ccc([N+](=O)[O-])cc1)c1ccccc1O
InChIInChI=1S/C15H14N2O4/c1-10(18)16-15(13-4-2-3-5-14(13)19)11-6-8-12(9-7-11)17(20)21/h2-9,15,19H,1H3,(H,16,18)
InChIKeyIQIXCWQBVBEBGJ-UHFFFAOYSA-N
XLogP2.53
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.53
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

(2S)-2-acetamido-2-(4-nitrophenyl)acetic acid
CID 14037273
N-[1-(4-nitrophenyl)-2-oxoethyl]acetamide
CID 174881625
N-[(S)-(2-hydroxy-5-methoxyphenyl)-(3-nitrophenyl)methyl]acetamide
CID 139076253
(2S,3S)-2-acetamido-3-(4-nitrophenyl)butanoic acid
CID 40558447
N-benzhydryl-4-nitrobenzamide
CID 676068
N-[(2,4-dichlorophenyl)-(2-hydroxyphenyl)methyl]acetamide
CID 102367056
N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
CID 4335
N-[[4-[acetamido-(5-benzyl-2-hydroxyphenyl)methyl]phenyl]-(5-benzyl-2-hydroxyphenyl)methyl]acetamide
CID 102367054
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide
CID 8798028
N-[benzotriazol-1-yl-(4-nitrophenyl)methyl]acetamide
CID 3710578
N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-3-methylbutanamide
CID 1084523
2-chloro-N-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]acetamide
CID 44556782

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide?
The IUPAC name of N-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide (CID 53412405) is N-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide?
The canonical SMILES for N-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide is CC(=O)NC(c1ccc([N+](=O)[O-])cc1)c1ccccc1O.
What is the InChIKey of N-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide?
The InChIKey is IQIXCWQBVBEBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-10(18)16-15(13-4-2-3-5-14(13)19)11-6-8-12(9-7-11)17(20)21/h2-9,15,19H,1H3,(H,16,18).
What are the key properties of N-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide?
N-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide has a molecular weight of 286.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 53412405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).