N-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide

C16H16N2O5 — CID 177145216

IUPACN-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide
SMILESCOc1cc(OC)cc(-c2ccc(NC(C)=O)cc2[N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O5/c1-10(19)17-12-4-5-15(16(8-12)18(20)21)11-6-13(22-2)9-14(7-11)23-3/h4-9H,1-3H3,(H,17,19)
InChIKeyXCQNJBKAHXHKLS-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.24
Rot. Bonds5

About N-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide

N-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide (PubChem CID 177145216) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide
PubChem CID177145216
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC NameN-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide
SMILESCOc1cc(OC)cc(-c2ccc(NC(C)=O)cc2[N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O5/c1-10(19)17-12-4-5-15(16(8-12)18(20)21)11-6-13(22-2)9-14(7-11)23-3/h4-9H,1-3H3,(H,17,19)
InChIKeyXCQNJBKAHXHKLS-UHFFFAOYSA-N
XLogP3.24
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-dimethoxybenzamide
CID 3276898
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 9076945
4-methoxy-2-nitro-1-phenylbenzene
CID 11401937
5-(4-methoxy-2-nitrophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 7465119
2-(5-acetamido-2-nitrophenyl)acetic acid
CID 86172139
N-(4-butyl-3-nitrophenyl)acetamide
CID 71393805
5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
N-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide
CID 102103939
N-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide
CID 154763377
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 37175471
N-(5-nitronaphthalen-2-yl)acetamide
CID 825939

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide?
The IUPAC name of N-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide (CID 177145216) is N-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide.
What is the SMILES notation for N-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide?
The canonical SMILES for N-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide is COc1cc(OC)cc(-c2ccc(NC(C)=O)cc2[N+](=O)[O-])c1.
What is the InChIKey of N-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide?
The InChIKey is XCQNJBKAHXHKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-10(19)17-12-4-5-15(16(8-12)18(20)21)11-6-13(22-2)9-14(7-11)23-3/h4-9H,1-3H3,(H,17,19).
What are the key properties of N-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide?
N-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide has a molecular weight of 316.31 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide is sourced from PubChem (CID 177145216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).