5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-(methylamino)benzamide

C15H20ClN3O2 — CID 79382058

IUPAC5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C15H20ClN3O2/c1-17-13-7-4-10(16)9-12(13)15(21)18-8-2-3-14(20)19-11-5-6-11/h4,7,9,11,17H,2-3,5-6,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyIWBIZRLXLDVUKI-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.17
Rot. Bonds7

About 5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-(methylamino)benzamide

5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-(methylamino)benzamide (PubChem CID 79382058) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-(methylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-(methylamino)benzamide
PubChem CID79382058
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C15H20ClN3O2/c1-17-13-7-4-10(16)9-12(13)15(21)18-8-2-3-14(20)19-11-5-6-11/h4,7,9,11,17H,2-3,5-6,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyIWBIZRLXLDVUKI-UHFFFAOYSA-N
XLogP2.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-cyclopropyl-2-(methylamino)benzamide
CID 62171127
5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 62175200
5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 55046977
5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 63316487
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide
CID 79386137
N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide
CID 115646353
N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105070639
3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide
CID 103826611
5-chloro-N-(1,1-dioxothiolan-3-yl)-2-(methylamino)benzamide
CID 55042392
N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide
CID 84533747
4-[(5-chloro-2-ethylsulfanylbenzoyl)amino]butanoic acid
CID 119352707
N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 17487252

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-(methylamino)benzamide?
The IUPAC name of 5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-(methylamino)benzamide (CID 79382058) is 5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-(methylamino)benzamide.
What is the SMILES notation for 5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-(methylamino)benzamide?
The canonical SMILES for 5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-(methylamino)benzamide is CNc1ccc(Cl)cc1C(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of 5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-(methylamino)benzamide?
The InChIKey is IWBIZRLXLDVUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-17-13-7-4-10(16)9-12(13)15(21)18-8-2-3-14(20)19-11-5-6-11/h4,7,9,11,17H,2-3,5-6,8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-(methylamino)benzamide?
5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-(methylamino)benzamide has a molecular weight of 309.80 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-(methylamino)benzamide is sourced from PubChem (CID 79382058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).