N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride

C15H20Cl2N2O2 — CID 3024733

IUPACN-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C(=O)C(C)N2CCCC2)cc1Cl.Cl
InChIInChI=1S/C15H19ClN2O2.ClH/c1-10(18-7-3-4-8-18)15(20)12-5-6-14(13(16)9-12)17-11(2)19;/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,19);1H
InChIKeyHCJTUNHSMXLMCS-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.39
Rot. Bonds4

About N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride

N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride (PubChem CID 3024733) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride
PubChem CID3024733
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC NameN-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C(=O)C(C)N2CCCC2)cc1Cl.Cl
InChIInChI=1S/C15H19ClN2O2.ClH/c1-10(18-7-3-4-8-18)15(20)12-5-6-14(13(16)9-12)17-11(2)19;/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,19);1H
InChIKeyHCJTUNHSMXLMCS-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide
CID 16786642
1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride
CID 2845131
1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962
4-acetamido-3-chlorobenzoate
CID 6920708
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
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N-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 86968144
1-(3,4-diethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-one
CID 6430840
3-chloro-4-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
CID 63087140
1-(3-fluorophenyl)-2-piperidin-1-ylpropan-1-one
CID 45141805
(3R)-N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide
CID 76959171
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019504
(2R)-N-(2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274926

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride (CID 3024733) is N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(C(=O)C(C)N2CCCC2)cc1Cl.Cl.
What is the InChIKey of N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride?
The InChIKey is HCJTUNHSMXLMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2.ClH/c1-10(18-7-3-4-8-18)15(20)12-5-6-14(13(16)9-12)17-11(2)19;/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,19);1H.
What are the key properties of N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride?
N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride has a molecular weight of 331.24 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 3024733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).