methyl N-[[2-(2-benzoylhydrazinyl)-1-(4-chlorophenyl)-2-oxoethyl]amino]carbamate

C17H17ClN4O4 — CID 100965257

IUPACmethyl N-[[2-(2-benzoylhydrazinyl)-1-(4-chlorophenyl)-2-oxoethyl]amino]carbamate
SMILESCOC(=O)NNC(C(=O)NNC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN4O4/c1-26-17(25)22-19-14(11-7-9-13(18)10-8-11)16(24)21-20-15(23)12-5-3-2-4-6-12/h2-10,14,19H,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyPJRRCWYKLGVYSJ-UHFFFAOYSA-N
MW376.80 g/mol
LogP1.70
Rot. Bonds5

About methyl N-[[2-(2-benzoylhydrazinyl)-1-(4-chlorophenyl)-2-oxoethyl]amino]carbamate

methyl N-[[2-(2-benzoylhydrazinyl)-1-(4-chlorophenyl)-2-oxoethyl]amino]carbamate (PubChem CID 100965257) has the molecular formula C17H17ClN4O4 and a molecular weight of 376.80 g/mol. Its IUPAC name is methyl N-[[2-(2-benzoylhydrazinyl)-1-(4-chlorophenyl)-2-oxoethyl]amino]carbamate.

Molecular Properties

Compound Namemethyl N-[[2-(2-benzoylhydrazinyl)-1-(4-chlorophenyl)-2-oxoethyl]amino]carbamate
PubChem CID100965257
Molecular FormulaC17H17ClN4O4
Molecular Weight376.80 g/mol
Exact Mass376.09
IUPAC Namemethyl N-[[2-(2-benzoylhydrazinyl)-1-(4-chlorophenyl)-2-oxoethyl]amino]carbamate
SMILESCOC(=O)NNC(C(=O)NNC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN4O4/c1-26-17(25)22-19-14(11-7-9-13(18)10-8-11)16(24)21-20-15(23)12-5-3-2-4-6-12/h2-10,14,19H,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyPJRRCWYKLGVYSJ-UHFFFAOYSA-N
XLogP1.70
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl N-[[2-(2-benzoylhydrazinyl)-1-(4-chlorophenyl)-2-oxoethyl]amino]carbamate with MolForge

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Related Compounds

N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide
CID 7601517
N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 102217695
N-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124
N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 55347203
methyl N-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]carbamate
CID 102020553
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
N-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]benzamide
CID 15658553
N'-benzoyl-4-chloro-2-methoxybenzohydrazide
CID 34594179
methyl 2-[(4-chlorophenyl)-(methoxycarbonylamino)methyl]prop-2-enoate
CID 102356900
N'-benzoyl-3,5-dichloro-4-methoxybenzohydrazide
CID 51218002
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
3-chloro-N'-(2,2-diphenylacetyl)benzohydrazide
CID 1378804

Frequently Asked Questions

What is the IUPAC name of methyl N-[[2-(2-benzoylhydrazinyl)-1-(4-chlorophenyl)-2-oxoethyl]amino]carbamate?
The IUPAC name of methyl N-[[2-(2-benzoylhydrazinyl)-1-(4-chlorophenyl)-2-oxoethyl]amino]carbamate (CID 100965257) is methyl N-[[2-(2-benzoylhydrazinyl)-1-(4-chlorophenyl)-2-oxoethyl]amino]carbamate.
What is the SMILES notation for methyl N-[[2-(2-benzoylhydrazinyl)-1-(4-chlorophenyl)-2-oxoethyl]amino]carbamate?
The canonical SMILES for methyl N-[[2-(2-benzoylhydrazinyl)-1-(4-chlorophenyl)-2-oxoethyl]amino]carbamate is COC(=O)NNC(C(=O)NNC(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of methyl N-[[2-(2-benzoylhydrazinyl)-1-(4-chlorophenyl)-2-oxoethyl]amino]carbamate?
The InChIKey is PJRRCWYKLGVYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O4/c1-26-17(25)22-19-14(11-7-9-13(18)10-8-11)16(24)21-20-15(23)12-5-3-2-4-6-12/h2-10,14,19H,1H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of methyl N-[[2-(2-benzoylhydrazinyl)-1-(4-chlorophenyl)-2-oxoethyl]amino]carbamate?
methyl N-[[2-(2-benzoylhydrazinyl)-1-(4-chlorophenyl)-2-oxoethyl]amino]carbamate has a molecular weight of 376.80 g/mol, XLogP of 1.70, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[2-(2-benzoylhydrazinyl)-1-(4-chlorophenyl)-2-oxoethyl]amino]carbamate is sourced from PubChem (CID 100965257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).