N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide

C18H18Cl2N2O2 — CID 17256470

IUPACN-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O2/c1-2-3-10-21-17(23)14-6-4-5-7-16(14)22-18(24)13-9-8-12(19)11-15(13)20/h4-9,11H,2-3,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyMTGXTSKXMMRIKZ-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.78
Rot. Bonds6

About N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide

N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide (PubChem CID 17256470) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide
PubChem CID17256470
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O2/c1-2-3-10-21-17(23)14-6-4-5-7-16(14)22-18(24)13-9-8-12(19)11-15(13)20/h4-9,11H,2-3,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyMTGXTSKXMMRIKZ-UHFFFAOYSA-N
XLogP4.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-nonylbenzamide
CID 3596264
N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide
CID 139926551
2,4-dichloro-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17148411
2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide
CID 71296271
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188
2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750879
N-butyl-4-chloro-2-iodobenzamide
CID 172647444
1-butyl-3-[(2,4-dichlorobenzoyl)amino]thiourea
CID 40648193
2,4-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 4938422
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298395

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide (CID 17256470) is N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide is CCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide?
The InChIKey is MTGXTSKXMMRIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-2-3-10-21-17(23)14-6-4-5-7-16(14)22-18(24)13-9-8-12(19)11-15(13)20/h4-9,11H,2-3,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide?
N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide has a molecular weight of 365.26 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 17256470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).