N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide

C15H14N4O4 — CID 34110855

IUPACN-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide
SMILESNC(=O)Nc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H14N4O4/c16-15(21)18-12-3-1-2-11(9-12)17-14(20)8-10-4-6-13(7-5-10)19(22)23/h1-7,9H,8H2,(H,17,20)(H3,16,18,21)
InChIKeyYDCXLBADBAXSQU-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.27
Rot. Bonds5

About N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide

N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide (PubChem CID 34110855) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide
PubChem CID34110855
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC NameN-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide
SMILESNC(=O)Nc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H14N4O4/c16-15(21)18-12-3-1-2-11(9-12)17-14(20)8-10-4-6-13(7-5-10)19(22)23/h1-7,9H,8H2,(H,17,20)(H3,16,18,21)
InChIKeyYDCXLBADBAXSQU-UHFFFAOYSA-N
XLogP2.27
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 26289356
N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide
CID 42852606
N,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide
CID 43010536
N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide
CID 4536667
[3-[(3-nitrophenyl)methylamino]phenyl]urea
CID 43744457
2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 34454824
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide
CID 9398234
2-[3-(dimethylcarbamoylamino)phenyl]-N-(4-nitrophenyl)acetamide
CID 54274791
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 42628397

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide (CID 34110855) is N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide is NC(=O)Nc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is YDCXLBADBAXSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c16-15(21)18-12-3-1-2-11(9-12)17-14(20)8-10-4-6-13(7-5-10)19(22)23/h1-7,9H,8H2,(H,17,20)(H3,16,18,21).
What are the key properties of N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide?
N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 314.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 34110855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).