2,4-dichloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide

C16H22Cl2N2O2 — CID 149456189

IUPAC2,4-dichloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide
SMILESCC(C)CNC(=O)CCCCNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2N2O2/c1-11(2)10-20-15(21)5-3-4-8-19-16(22)13-7-6-12(17)9-14(13)18/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYYPHCOCMQDATIT-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.67
Rot. Bonds8

About 2,4-dichloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide

2,4-dichloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide (PubChem CID 149456189) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide
PubChem CID149456189
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name2,4-dichloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide
SMILESCC(C)CNC(=O)CCCCNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2N2O2/c1-11(2)10-20-15(21)5-3-4-8-19-16(22)13-7-6-12(17)9-14(13)18/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYYPHCOCMQDATIT-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.67
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-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide
CID 153096273
2,4-dichloro-N-(4-methylpentyl)benzamide
CID 3288141
2,4-dichloro-N-nonylbenzamide
CID 3596264
2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide
CID 106157104
3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
CID 62676717
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2,4-dichloro-N-pent-4-ynylbenzamide
CID 103709106
2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387806
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188
2,4-dichloro-N-(2-ethylbutyl)benzamide
CID 84513268
2,4-dichloro-N-[(2S)-1-(3-hydroxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 98001708
2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119509137

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide (CID 149456189) is 2,4-dichloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide is CC(C)CNC(=O)CCCCNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide?
The InChIKey is YYPHCOCMQDATIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-11(2)10-20-15(21)5-3-4-8-19-16(22)13-7-6-12(17)9-14(13)18/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2,4-dichloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide?
2,4-dichloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide has a molecular weight of 345.27 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide is sourced from PubChem (CID 149456189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).