N'-(4-chloro-2-nitrobenzoyl)-1H-indole-3-carbohydrazide

C16H11ClN4O4 — CID 30145216

IUPACN'-(4-chloro-2-nitrobenzoyl)-1H-indole-3-carbohydrazide
SMILESO=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C16H11ClN4O4/c17-9-5-6-11(14(7-9)21(24)25)15(22)19-20-16(23)12-8-18-13-4-2-1-3-10(12)13/h1-8,18H,(H,19,22)(H,20,23)
InChIKeyZCGDPTODECYYEY-UHFFFAOYSA-N
MW358.74 g/mol
LogP2.80
Rot. Bonds3

About N'-(4-chloro-2-nitrobenzoyl)-1H-indole-3-carbohydrazide

N'-(4-chloro-2-nitrobenzoyl)-1H-indole-3-carbohydrazide (PubChem CID 30145216) has the molecular formula C16H11ClN4O4 and a molecular weight of 358.74 g/mol. Its IUPAC name is N'-(4-chloro-2-nitrobenzoyl)-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-2-nitrobenzoyl)-1H-indole-3-carbohydrazide
PubChem CID30145216
Molecular FormulaC16H11ClN4O4
Molecular Weight358.74 g/mol
Exact Mass358.05
IUPAC NameN'-(4-chloro-2-nitrobenzoyl)-1H-indole-3-carbohydrazide
SMILESO=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C16H11ClN4O4/c17-9-5-6-11(14(7-9)21(24)25)15(22)19-20-16(23)12-8-18-13-4-2-1-3-10(12)13/h1-8,18H,(H,19,22)(H,20,23)
InChIKeyZCGDPTODECYYEY-UHFFFAOYSA-N
XLogP2.80
TPSA117.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.74
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide
CID 4507508
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
1-[(4-chloro-2-nitrobenzoyl)amino]-3-[(4-fluorophenyl)methyl]thiourea
CID 8941766
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-chloro-2-nitrobenzoate
CID 8603996
N-[(1H-indole-3-carbonylamino)carbamothioyl]-4-methoxy-3-nitrobenzamide
CID 3660311
N'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide
CID 26980122
bis(4-chloro-2-nitrophenyl)methanone
CID 13462792
N-(1H-benzimidazol-2-ylmethyl)-4-chloro-2-nitrobenzamide
CID 18105058
4-chloro-2-nitro-N-propan-2-ylbenzamide
CID 789174
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
4-chloro-N-naphthalen-2-yl-2-nitrobenzamide
CID 896015
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-nitrobenzamide
CID 27161579

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-nitrobenzoyl)-1H-indole-3-carbohydrazide?
The IUPAC name of N'-(4-chloro-2-nitrobenzoyl)-1H-indole-3-carbohydrazide (CID 30145216) is N'-(4-chloro-2-nitrobenzoyl)-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-(4-chloro-2-nitrobenzoyl)-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-(4-chloro-2-nitrobenzoyl)-1H-indole-3-carbohydrazide is O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N'-(4-chloro-2-nitrobenzoyl)-1H-indole-3-carbohydrazide?
The InChIKey is ZCGDPTODECYYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O4/c17-9-5-6-11(14(7-9)21(24)25)15(22)19-20-16(23)12-8-18-13-4-2-1-3-10(12)13/h1-8,18H,(H,19,22)(H,20,23).
What are the key properties of N'-(4-chloro-2-nitrobenzoyl)-1H-indole-3-carbohydrazide?
N'-(4-chloro-2-nitrobenzoyl)-1H-indole-3-carbohydrazide has a molecular weight of 358.74 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-nitrobenzoyl)-1H-indole-3-carbohydrazide is sourced from PubChem (CID 30145216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).