N-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide

C18H21ClN2O3 — CID 89281710

IUPACN-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide
SMILESCOc1cc(Oc2ccccc2)ccc1C(=O)NCCCCNCl
InChIInChI=1S/C18H21ClN2O3/c1-23-17-13-15(24-14-7-3-2-4-8-14)9-10-16(17)18(22)20-11-5-6-12-21-19/h2-4,7-10,13,21H,5-6,11-12H2,1H3,(H,20,22)
InChIKeyZZTBHFCPFQFOSS-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.74
Rot. Bonds9

About N-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide

N-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide (PubChem CID 89281710) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide
PubChem CID89281710
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide
SMILESCOc1cc(Oc2ccccc2)ccc1C(=O)NCCCCNCl
InChIInChI=1S/C18H21ClN2O3/c1-23-17-13-15(24-14-7-3-2-4-8-14)9-10-16(17)18(22)20-11-5-6-12-21-19/h2-4,7-10,13,21H,5-6,11-12H2,1H3,(H,20,22)
InChIKeyZZTBHFCPFQFOSS-UHFFFAOYSA-N
XLogP3.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride
CID 69329506
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid
CID 11990538
N-(4-chloropentyl)-2,4-dimethoxybenzamide
CID 106129758
N-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide
CID 58730741
N-[3-(ethylamino)propyl]-2,4-dimethoxybenzamide
CID 43601745
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
2,5-dimethoxy-N-(4-phenoxybutyl)benzamide
CID 18120226
2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 27039874

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide?
The IUPAC name of N-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide (CID 89281710) is N-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide.
What is the SMILES notation for N-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide?
The canonical SMILES for N-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide is COc1cc(Oc2ccccc2)ccc1C(=O)NCCCCNCl.
What is the InChIKey of N-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide?
The InChIKey is ZZTBHFCPFQFOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-23-17-13-15(24-14-7-3-2-4-8-14)9-10-16(17)18(22)20-11-5-6-12-21-19/h2-4,7-10,13,21H,5-6,11-12H2,1H3,(H,20,22).
What are the key properties of N-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide?
N-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide has a molecular weight of 348.83 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide is sourced from PubChem (CID 89281710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).