2-(3-chlorophenyl)-N,2-dimethyl-N-[(3S,4R)-4-(4-methylphenyl)pyrrolidin-3-yl]propanamide

C22H27ClN2O — CID 70288030

IUPAC2-(3-chlorophenyl)-N,2-dimethyl-N-[(3S,4R)-4-(4-methylphenyl)pyrrolidin-3-yl]propanamide
SMILESCc1ccc([C@@H]2CNC[C@H]2N(C)C(=O)C(C)(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H27ClN2O/c1-15-8-10-16(11-9-15)19-13-24-14-20(19)25(4)21(26)22(2,3)17-6-5-7-18(23)12-17/h5-12,19-20,24H,13-14H2,1-4H3/t19-,20+/m0/s1
InChIKeyFTYDHCYOJQHOGL-VQTJNVASSA-N
MW370.92 g/mol
LogP4.14
Rot. Bonds4

About 2-(3-chlorophenyl)-N,2-dimethyl-N-[(3S,4R)-4-(4-methylphenyl)pyrrolidin-3-yl]propanamide

2-(3-chlorophenyl)-N,2-dimethyl-N-[(3S,4R)-4-(4-methylphenyl)pyrrolidin-3-yl]propanamide (PubChem CID 70288030) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N,2-dimethyl-N-[(3S,4R)-4-(4-methylphenyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N,2-dimethyl-N-[(3S,4R)-4-(4-methylphenyl)pyrrolidin-3-yl]propanamide
PubChem CID70288030
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC Name2-(3-chlorophenyl)-N,2-dimethyl-N-[(3S,4R)-4-(4-methylphenyl)pyrrolidin-3-yl]propanamide
SMILESCc1ccc([C@@H]2CNC[C@H]2N(C)C(=O)C(C)(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H27ClN2O/c1-15-8-10-16(11-9-15)19-13-24-14-20(19)25(4)21(26)22(2,3)17-6-5-7-18(23)12-17/h5-12,19-20,24H,13-14H2,1-4H3/t19-,20+/m0/s1
InChIKeyFTYDHCYOJQHOGL-VQTJNVASSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N,2-dimethyl-N-[(3S,4R)-4-(4-methylphenyl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-(3-chlorophenyl)-N,2-dimethyl-N-[(3S,4R)-4-(4-methylphenyl)pyrrolidin-3-yl]propanamide (CID 70288030) is 2-(3-chlorophenyl)-N,2-dimethyl-N-[(3S,4R)-4-(4-methylphenyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N,2-dimethyl-N-[(3S,4R)-4-(4-methylphenyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-(3-chlorophenyl)-N,2-dimethyl-N-[(3S,4R)-4-(4-methylphenyl)pyrrolidin-3-yl]propanamide is Cc1ccc([C@@H]2CNC[C@H]2N(C)C(=O)C(C)(C)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-N,2-dimethyl-N-[(3S,4R)-4-(4-methylphenyl)pyrrolidin-3-yl]propanamide?
The InChIKey is FTYDHCYOJQHOGL-VQTJNVASSA-N. The full InChI is InChI=1S/C22H27ClN2O/c1-15-8-10-16(11-9-15)19-13-24-14-20(19)25(4)21(26)22(2,3)17-6-5-7-18(23)12-17/h5-12,19-20,24H,13-14H2,1-4H3/t19-,20+/m0/s1.
What are the key properties of 2-(3-chlorophenyl)-N,2-dimethyl-N-[(3S,4R)-4-(4-methylphenyl)pyrrolidin-3-yl]propanamide?
2-(3-chlorophenyl)-N,2-dimethyl-N-[(3S,4R)-4-(4-methylphenyl)pyrrolidin-3-yl]propanamide has a molecular weight of 370.92 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N,2-dimethyl-N-[(3S,4R)-4-(4-methylphenyl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 70288030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).