N-benzyl-4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-4-oxobutanamide

C18H19ClN4O3 — CID 3638630

IUPACN-benzyl-4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)NNC(=O)Nc1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C18H19ClN4O3/c19-14-6-8-15(9-7-14)21-18(26)23-22-17(25)11-10-16(24)20-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,24)(H,22,25)(H2,21,23,26)
InChIKeyNZRSVCQOKMMCOJ-UHFFFAOYSA-N
MW374.83 g/mol
LogP2.59
Rot. Bonds6

About N-benzyl-4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-4-oxobutanamide

N-benzyl-4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-4-oxobutanamide (PubChem CID 3638630) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is N-benzyl-4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-benzyl-4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-4-oxobutanamide
PubChem CID3638630
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC NameN-benzyl-4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)NNC(=O)Nc1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C18H19ClN4O3/c19-14-6-8-15(9-7-14)21-18(26)23-22-17(25)11-10-16(24)20-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,24)(H,22,25)(H2,21,23,26)
InChIKeyNZRSVCQOKMMCOJ-UHFFFAOYSA-N
XLogP2.59
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-{[(3-chlorophenyl)amino]carbonylamino}-3-phenylpropanamide
CID 5238384
N-(3-chlorophenyl)-2-(phenylacetyl)hydrazinecarboxamide
CID 841948
2-{[1-(2-chloro-4-fluorobenzyl)-4-piperidinyl]carbonyl}-N-(4-methylphenyl)hydrazinecarboxamide
CID 1223853
4-[2-(anilinocarbothioyl)hydrazino]-N-benzyl-4-oxobutanamide
CID 1581763
N-(2-chlorophenyl)-4-oxo-4-(2-{[2-(trifluoromethyl)phenyl]carbamothioyl}hydrazinyl)butanamide
CID 2204748
1-Benzyl-3-[[2-(3-chloroanilino)acetyl]amino]thiourea
CID 3137369
1-Benzyl-3-[[2-(4-chloroanilino)acetyl]amino]thiourea
CID 3145862
Urea, N-(4-chlorophenyl)-N'-((5-oxo-1-(phenylmethyl)-3-pyrrolidinyl)methyl)-
CID 3025488
2-benzoyl-2-tert-butyl-N-(4-chlorophenyl)hydrazinecarboxamide
CID 848609
2-[(2-chlorophenyl)acetyl]-N-phenylhydrazinecarboxamide
CID 849676
2-[4-(benzylamino)-4-oxobutanoyl]-N-(3-chlorophenyl)hydrazinecarboxamide
CID 2219253
N-(4-chlorophenyl)-N'-{2,5-dioxo-4-[3-(trifluoromethyl)phenyl]piperazino}urea
CID 2816703

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-benzyl-4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-4-oxobutanamide (CID 3638630) is N-benzyl-4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-benzyl-4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-benzyl-4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-4-oxobutanamide is O=C(CCC(=O)NNC(=O)Nc1ccc(Cl)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-4-oxobutanamide?
The InChIKey is NZRSVCQOKMMCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c19-14-6-8-15(9-7-14)21-18(26)23-22-17(25)11-10-16(24)20-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,24)(H,22,25)(H2,21,23,26).
What are the key properties of N-benzyl-4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-4-oxobutanamide?
N-benzyl-4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-4-oxobutanamide has a molecular weight of 374.83 g/mol, XLogP of 2.59, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 3638630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).