N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide

C19H20ClN3O4 — CID 50881808

IUPACN-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(N3CCCCC3)c([N+](=O)[O-])cc2Cl)c1
InChIInChI=1S/C19H20ClN3O4/c1-27-14-7-5-6-13(10-14)19(24)21-16-12-17(22-8-3-2-4-9-22)18(23(25)26)11-15(16)20/h5-7,10-12H,2-4,8-9H2,1H3,(H,21,24)
InChIKeyFHDGZZUKQSBWNE-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.50
Rot. Bonds5

About N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide

N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide (PubChem CID 50881808) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide
PubChem CID50881808
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC NameN-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(N3CCCCC3)c([N+](=O)[O-])cc2Cl)c1
InChIInChI=1S/C19H20ClN3O4/c1-27-14-7-5-6-13(10-14)19(24)21-16-12-17(22-8-3-2-4-9-22)18(23(25)26)11-15(16)20/h5-7,10-12H,2-4,8-9H2,1H3,(H,21,24)
InChIKeyFHDGZZUKQSBWNE-UHFFFAOYSA-N
XLogP4.50
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.50
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[2-chloro-5-(4-methylpiperazin-1-yl)-4-nitrophenyl]-3-methoxybenzamide
CID 50881799
3-chloro-N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)benzamide
CID 50881507
3-chloro-N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide
CID 50881453
N-[2-chloro-5-[(2R)-2-methylpiperidin-1-yl]-4-nitrophenyl]-3-methoxybenzamide
CID 95733373
N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881821
N-[2-chloro-5-(cyclohexylamino)-4-nitrophenyl]-3-methoxybenzamide
CID 50881695
3-chloro-N-[2-chloro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]benzamide
CID 50881515
N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide
CID 50881707
N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide
CID 50881780
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 5126115
N-(3,5-dimethoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 7409582
3,4-dichloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide
CID 50881487

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide?
The IUPAC name of N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide (CID 50881808) is N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide.
What is the SMILES notation for N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide?
The canonical SMILES for N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc(N3CCCCC3)c([N+](=O)[O-])cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide?
The InChIKey is FHDGZZUKQSBWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-27-14-7-5-6-13(10-14)19(24)21-16-12-17(22-8-3-2-4-9-22)18(23(25)26)11-15(16)20/h5-7,10-12H,2-4,8-9H2,1H3,(H,21,24).
What are the key properties of N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide?
N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide has a molecular weight of 389.84 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide is sourced from PubChem (CID 50881808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).