4-chloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride

C21H25Cl2N3O2 — CID 119552464

IUPAC4-chloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
SMILESCN(C(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)C1CCNC1.Cl
InChIInChI=1S/C21H24ClN3O2.ClH/c1-25(18-11-12-23-14-18)21(27)19(13-15-5-3-2-4-6-15)24-20(26)16-7-9-17(22)10-8-16;/h2-10,18-19,23H,11-14H2,1H3,(H,24,26);1H
InChIKeyKAUPKNPECRRSAR-UHFFFAOYSA-N
MW422.36 g/mol
LogP2.92
Rot. Bonds6

About 4-chloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride

4-chloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride (PubChem CID 119552464) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 4-chloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
PubChem CID119552464
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name4-chloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
SMILESCN(C(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)C1CCNC1.Cl
InChIInChI=1S/C21H24ClN3O2.ClH/c1-25(18-11-12-23-14-18)21(27)19(13-15-5-3-2-4-6-15)24-20(26)16-7-9-17(22)10-8-16;/h2-10,18-19,23H,11-14H2,1H3,(H,24,26);1H
InChIKeyKAUPKNPECRRSAR-UHFFFAOYSA-N
XLogP2.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-chloro-N-[(2R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride?
The IUPAC name of 4-chloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride (CID 119552464) is 4-chloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride is CN(C(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)C1CCNC1.Cl.
What is the InChIKey of 4-chloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride?
The InChIKey is KAUPKNPECRRSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2.ClH/c1-25(18-11-12-23-14-18)21(27)19(13-15-5-3-2-4-6-15)24-20(26)16-7-9-17(22)10-8-16;/h2-10,18-19,23H,11-14H2,1H3,(H,24,26);1H.
What are the key properties of 4-chloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride?
4-chloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride has a molecular weight of 422.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119552464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).