4-chloro-N-[4-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)pentan-2-yl]benzamide

C18H26ClN3O2 — CID 119513660

IUPAC4-chloro-N-[4-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)pentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NCC1CCCN1
InChIInChI=1S/C18H26ClN3O2/c1-12(2)10-16(18(24)21-11-15-4-3-9-20-15)22-17(23)13-5-7-14(19)8-6-13/h5-8,12,15-16,20H,3-4,9-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeySQJFVRFQOZEAEJ-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.35
Rot. Bonds7

About 4-chloro-N-[4-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)pentan-2-yl]benzamide

4-chloro-N-[4-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)pentan-2-yl]benzamide (PubChem CID 119513660) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 4-chloro-N-[4-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)pentan-2-yl]benzamide
PubChem CID119513660
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name4-chloro-N-[4-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)pentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NCC1CCCN1
InChIInChI=1S/C18H26ClN3O2/c1-12(2)10-16(18(24)21-11-15-4-3-9-20-15)22-17(23)13-5-7-14(19)8-6-13/h5-8,12,15-16,20H,3-4,9-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeySQJFVRFQOZEAEJ-UHFFFAOYSA-N
XLogP2.35
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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4-methoxy-N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]benzamide;hydrochloride
CID 119511819
4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 35513680
4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 55575717
4-chloro-N-[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl]benzamide
CID 51064823
2-(2,5-dichlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512562
4-chloro-N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]benzamide
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4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride
CID 119464126
4-chloro-N-[(2S)-1-[(2-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 8871221
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7648880
4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide
CID 55469448

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)pentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)pentan-2-yl]benzamide (CID 119513660) is 4-chloro-N-[4-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)pentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)pentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)pentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NCC1CCCN1.
What is the InChIKey of 4-chloro-N-[4-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)pentan-2-yl]benzamide?
The InChIKey is SQJFVRFQOZEAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-12(2)10-16(18(24)21-11-15-4-3-9-20-15)22-17(23)13-5-7-14(19)8-6-13/h5-8,12,15-16,20H,3-4,9-11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-N-[4-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)pentan-2-yl]benzamide?
4-chloro-N-[4-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)pentan-2-yl]benzamide has a molecular weight of 351.88 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)pentan-2-yl]benzamide is sourced from PubChem (CID 119513660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).