N-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide

C19H20N4O5 — CID 4926283

IUPACN-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H20N4O5/c1-2-3-7-17(24)20-15-10-8-13(9-11-15)18(25)21-22-19(26)14-5-4-6-16(12-14)23(27)28/h4-6,8-12H,2-3,7H2,1H3,(H,20,24)(H,21,25)(H,22,26)
InChIKeyFQOVHWCVKNPKML-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.80
Rot. Bonds7

About N-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide

N-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide (PubChem CID 4926283) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide
PubChem CID4926283
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H20N4O5/c1-2-3-7-17(24)20-15-10-8-13(9-11-15)18(25)21-22-19(26)14-5-4-6-16(12-14)23(27)28/h4-6,8-12H,2-3,7H2,1H3,(H,20,24)(H,21,25)(H,22,26)
InChIKeyFQOVHWCVKNPKML-UHFFFAOYSA-N
XLogP2.80
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.80
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

3-nitro-N'-tetradecanoylbenzohydrazide
CID 54791907
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide
CID 4940346
N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-3-nitrobenzamide
CID 3346897
N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide
CID 4926555
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-(pentanoylamino)benzamide
CID 135678488
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
3-nitro-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide
CID 26776908
N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide
CID 26679344
N-[[(4-butoxybenzoyl)amino]carbamothioyl]-3-nitrobenzamide
CID 3138354
N-[4-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide
CID 17187409
N-(6-nitro-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide
CID 2955168
3-nitro-N-(4-pentoxyphenyl)benzamide
CID 2281129

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide?
The IUPAC name of N-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide (CID 4926283) is N-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide?
The canonical SMILES for N-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide?
The InChIKey is FQOVHWCVKNPKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-2-3-7-17(24)20-15-10-8-13(9-11-15)18(25)21-22-19(26)14-5-4-6-16(12-14)23(27)28/h4-6,8-12H,2-3,7H2,1H3,(H,20,24)(H,21,25)(H,22,26).
What are the key properties of N-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide?
N-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide has a molecular weight of 384.39 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide is sourced from PubChem (CID 4926283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).