4-chloro-N-[(2S,3S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopentan-2-yl]benzamide

C20H21ClN4O5 — CID 24539912

IUPAC4-chloro-N-[(2S,3S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H21ClN4O5/c1-3-12(2)17(22-18(26)13-7-9-15(21)10-8-13)20(28)24-23-19(27)14-5-4-6-16(11-14)25(29)30/h4-12,17H,3H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t12-,17-/m0/s1
InChIKeyNKGGSBABDQLWHA-SJCJKPOMSA-N
MW432.86 g/mol
LogP2.85
Rot. Bonds7

About 4-chloro-N-[(2S,3S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopentan-2-yl]benzamide

4-chloro-N-[(2S,3S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopentan-2-yl]benzamide (PubChem CID 24539912) has the molecular formula C20H21ClN4O5 and a molecular weight of 432.86 g/mol. Its IUPAC name is 4-chloro-N-[(2S,3S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S,3S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopentan-2-yl]benzamide
PubChem CID24539912
Molecular FormulaC20H21ClN4O5
Molecular Weight432.86 g/mol
Exact Mass432.12
IUPAC Name4-chloro-N-[(2S,3S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H21ClN4O5/c1-3-12(2)17(22-18(26)13-7-9-15(21)10-8-13)20(28)24-23-19(27)14-5-4-6-16(11-14)25(29)30/h4-12,17H,3H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t12-,17-/m0/s1
InChIKeyNKGGSBABDQLWHA-SJCJKPOMSA-N
XLogP2.85
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.86
LogP ≤ 52.85
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'}

Analyze 4-chloro-N-[(2S,3S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopentan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124
(2S)-3-methyl-2-[(3-nitrobenzoyl)amino]pentanoic acid
CID 61172538
4-fluoro-N-[3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 18275153
4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide
CID 35148834
3-methyl-2-[2-[(3-nitrobenzoyl)amino]propanoylamino]pentanoic acid
CID 119211447
(3-nitrophenyl)methyl 2-[(4-chlorobenzoyl)amino]-3-methylbutanoate
CID 55308647
(4-nitrophenyl)methyl (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 27917791
N-[1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-nitrobenzamide
CID 42757863
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
(2,4-dichlorophenyl)methyl 2-[(3-nitrobenzoyl)amino]propanoate
CID 55309534
N'-(2-bromopropanoyl)-3-nitrobenzohydrazide
CID 3797916
N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 4932285

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S,3S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2S,3S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopentan-2-yl]benzamide (CID 24539912) is 4-chloro-N-[(2S,3S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2S,3S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2S,3S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopentan-2-yl]benzamide is CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-[(2S,3S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopentan-2-yl]benzamide?
The InChIKey is NKGGSBABDQLWHA-SJCJKPOMSA-N. The full InChI is InChI=1S/C20H21ClN4O5/c1-3-12(2)17(22-18(26)13-7-9-15(21)10-8-13)20(28)24-23-19(27)14-5-4-6-16(11-14)25(29)30/h4-12,17H,3H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t12-,17-/m0/s1.
What are the key properties of 4-chloro-N-[(2S,3S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopentan-2-yl]benzamide?
4-chloro-N-[(2S,3S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopentan-2-yl]benzamide has a molecular weight of 432.86 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S,3S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 24539912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).