N-[2-(4-chlorophenoxy)propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide

C15H21ClN2O3 — CID 111509002

IUPACN-[2-(4-chlorophenoxy)propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(CNC(=O)N1CCC(CO)C1)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-11(21-14-4-2-13(16)3-5-14)8-17-15(20)18-7-6-12(9-18)10-19/h2-5,11-12,19H,6-10H2,1H3,(H,17,20)
InChIKeyNEFJXYVOBYSCCN-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.13
Rot. Bonds5

About N-[2-(4-chlorophenoxy)propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide

N-[2-(4-chlorophenoxy)propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111509002) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111509002
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-[2-(4-chlorophenoxy)propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(CNC(=O)N1CCC(CO)C1)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-11(21-14-4-2-13(16)3-5-14)8-17-15(20)18-7-6-12(9-18)10-19/h2-5,11-12,19H,6-10H2,1H3,(H,17,20)
InChIKeyNEFJXYVOBYSCCN-UHFFFAOYSA-N
XLogP2.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111508484
N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111440705
(3R)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96997784
1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 122002152
N-[2-(4-chlorophenoxy)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895069
1-[2-(4-bromophenoxy)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004339
N-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110922372
2-(4-bromophenoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 55065748
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896048
1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid
CID 122002158
2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 62370957
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111509002) is N-[2-(4-chlorophenoxy)propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide is CC(CNC(=O)N1CCC(CO)C1)Oc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is NEFJXYVOBYSCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-11(21-14-4-2-13(16)3-5-14)8-17-15(20)18-7-6-12(9-18)10-19/h2-5,11-12,19H,6-10H2,1H3,(H,17,20).
What are the key properties of N-[2-(4-chlorophenoxy)propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-[2-(4-chlorophenoxy)propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111509002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).