1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

C13H17ClN2O2 — CID 175978099

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1CN1CCCC1C(N)=O
InChIInChI=1S/C13H17ClN2O2/c1-18-12-5-4-10(14)7-9(12)8-16-6-2-3-11(16)13(15)17/h4-5,7,11H,2-3,6,8H2,1H3,(H2,15,17)
InChIKeyBSAMGYJAAJGBKT-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.80
Rot. Bonds4

About 1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 175978099) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID175978099
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1CN1CCCC1C(N)=O
InChIInChI=1S/C13H17ClN2O2/c1-18-12-5-4-10(14)7-9(12)8-16-6-2-3-11(16)13(15)17/h4-5,7,11H,2-3,6,8H2,1H3,(H2,15,17)
InChIKeyBSAMGYJAAJGBKT-UHFFFAOYSA-N
XLogP1.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 77035987
1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 171323663
2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61371710
[(2R)-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62733109
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 106785169
methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate
CID 115670695
(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
CID 172675142
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62581996
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
1-[(4-carbamothioyl-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 106788713
1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-2-carbothioamide
CID 103046598

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 175978099) is 1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is COc1ccc(Cl)cc1CN1CCCC1C(N)=O.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is BSAMGYJAAJGBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-18-12-5-4-10(14)7-9(12)8-16-6-2-3-11(16)13(15)17/h4-5,7,11H,2-3,6,8H2,1H3,(H2,15,17).
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 175978099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).