N-[4-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]propanamide

C17H16N4O5 — CID 3104597

IUPACN-[4-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H16N4O5/c1-2-15(22)18-13-7-3-11(4-8-13)16(23)19-20-17(24)12-5-9-14(10-6-12)21(25)26/h3-10H,2H2,1H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyRKSVOUNLWDNSDA-UHFFFAOYSA-N
MW356.34 g/mol
LogP2.02
Rot. Bonds5

About N-[4-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]propanamide

N-[4-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]propanamide (PubChem CID 3104597) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is N-[4-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]propanamide
PubChem CID3104597
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC NameN-[4-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H16N4O5/c1-2-15(22)18-13-7-3-11(4-8-13)16(23)19-20-17(24)12-5-9-14(10-6-12)21(25)26/h3-10H,2H2,1H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyRKSVOUNLWDNSDA-UHFFFAOYSA-N
XLogP2.02
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.02
H-Bond Donors ≤ 53
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

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4-Nitro-N-(2-((4-nitrobenzoyl)amino)phenyl)benzamide
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4-Nitro-N-(3-((4-nitrobenzoyl)amino)phenyl)benzamide
CID 5022541
1,2-Bis(4-nitrobenzoyl)hydrazine
CID 3373596
N-Hydroxy-4-(4-phenyl-butyrylamino)-benzamide
CID 9994848
N-Hydroxy-4-phenylacetylamino-benzamide
CID 11196500
N-hydroxy-4-[[(2R)-2-phenylbutanoyl]amino]benzamide
CID 11231829
N-hydroxy-4-[[(2S)-2-phenylbutanoyl]amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]propanamide (CID 3104597) is N-[4-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]propanamide?
The InChIKey is RKSVOUNLWDNSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5/c1-2-15(22)18-13-7-3-11(4-8-13)16(23)19-20-17(24)12-5-9-14(10-6-12)21(25)26/h3-10H,2H2,1H3,(H,18,22)(H,19,23)(H,20,24).
What are the key properties of N-[4-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]propanamide?
N-[4-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]propanamide has a molecular weight of 356.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]propanamide is sourced from PubChem (CID 3104597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).