N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(1H-indol-3-yl)butanamide

C19H17ClN4O3 — CID 4517188

IUPACN-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NN=Cc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C19H17ClN4O3/c20-17-9-8-15(24(26)27)10-14(17)12-22-23-19(25)7-3-4-13-11-21-18-6-2-1-5-16(13)18/h1-2,5-6,8-12,21H,3-4,7H2,(H,23,25)
InChIKeyVOCXCYICKIFODO-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.20
Rot. Bonds7

About N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(1H-indol-3-yl)butanamide

N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(1H-indol-3-yl)butanamide (PubChem CID 4517188) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(1H-indol-3-yl)butanamide
PubChem CID4517188
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC NameN-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NN=Cc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C19H17ClN4O3/c20-17-9-8-15(24(26)27)10-14(17)12-22-23-19(25)7-3-4-13-11-21-18-6-2-1-5-16(13)18/h1-2,5-6,8-12,21H,3-4,7H2,(H,23,25)
InChIKeyVOCXCYICKIFODO-UHFFFAOYSA-N
XLogP4.20
TPSA100.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-chloro-5-nitroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 3485134
N-[(2-chloro-5-nitrophenyl)methylideneamino]hexanamide
CID 4955557
N-[(Z)-1H-indol-3-ylmethylideneamino]-4-[1-(4-nitrophenyl)ethenylamino]butanamide;hydrate
CID 135829797
N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide
CID 3708913
1,3-bis[(E)-(2-chloro-5-nitrophenyl)methylideneamino]urea
CID 126842911
2-(4-tert-butylphenyl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
CID 126259033
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 94847766
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-carboxamide
CID 6010515
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 51298232
N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide
CID 74816610
5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
CID 135648369

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(1H-indol-3-yl)butanamide (CID 4517188) is N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(1H-indol-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)NN=Cc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(1H-indol-3-yl)butanamide?
The InChIKey is VOCXCYICKIFODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c20-17-9-8-15(24(26)27)10-14(17)12-22-23-19(25)7-3-4-13-11-21-18-6-2-1-5-16(13)18/h1-2,5-6,8-12,21H,3-4,7H2,(H,23,25).
What are the key properties of N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(1H-indol-3-yl)butanamide?
N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(1H-indol-3-yl)butanamide has a molecular weight of 384.82 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 4517188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).