N-(3-chloro-2-methylphenyl)-4-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-4-oxobutanamide

C19H19ClN4O6 — CID 4931207

IUPACN-(3-chloro-2-methylphenyl)-4-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-4-oxobutanamide
SMILESCc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H19ClN4O6/c1-12-13(20)5-4-6-14(12)21-17(25)9-10-18(26)22-23-19(27)11-30-16-8-3-2-7-15(16)24(28)29/h2-8H,9-11H2,1H3,(H,21,25)(H,22,26)(H,23,27)
InChIKeyBJZMCENXRXGCPN-UHFFFAOYSA-N
MW434.84 g/mol
LogP2.50
Rot. Bonds8

About N-(3-chloro-2-methylphenyl)-4-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-4-oxobutanamide

N-(3-chloro-2-methylphenyl)-4-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-4-oxobutanamide (PubChem CID 4931207) has the molecular formula C19H19ClN4O6 and a molecular weight of 434.84 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-4-oxobutanamide
PubChem CID4931207
Molecular FormulaC19H19ClN4O6
Molecular Weight434.84 g/mol
Exact Mass434.10
IUPAC NameN-(3-chloro-2-methylphenyl)-4-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-4-oxobutanamide
SMILESCc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H19ClN4O6/c1-12-13(20)5-4-6-14(12)21-17(25)9-10-18(26)22-23-19(27)11-30-16-8-3-2-7-15(16)24(28)29/h2-8H,9-11H2,1H3,(H,21,25)(H,22,26)(H,23,27)
InChIKeyBJZMCENXRXGCPN-UHFFFAOYSA-N
XLogP2.50
TPSA139.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.84
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 3516306
N-(2-methyl-3-nitrophenyl)-4-(2-nitrophenoxy)butanamide
CID 84549848
2-(2-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2903228
2-(2-chlorophenoxy)-N-[(2-methyl-3-nitrophenyl)carbamothioyl]acetamide
CID 5209582
4-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3997287
N-(2,3-dimethylphenyl)-4-(2-nitrophenoxy)butanamide
CID 84550981
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide
CID 4512967
4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3394735
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(5-chloro-9,10-dioxoanthracen-1-yl)-2-(2-nitrophenoxy)acetamide
CID 4560277

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-4-oxobutanamide (CID 4931207) is N-(3-chloro-2-methylphenyl)-4-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-4-oxobutanamide is Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-4-oxobutanamide?
The InChIKey is BJZMCENXRXGCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O6/c1-12-13(20)5-4-6-14(12)21-17(25)9-10-18(26)22-23-19(27)11-30-16-8-3-2-7-15(16)24(28)29/h2-8H,9-11H2,1H3,(H,21,25)(H,22,26)(H,23,27).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-4-oxobutanamide?
N-(3-chloro-2-methylphenyl)-4-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-4-oxobutanamide has a molecular weight of 434.84 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 4931207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).