2-[(3-chlorophenyl)methyl]-4-azaspiro[2.5]octane-7-carboxamide

C15H19ClN2O — CID 175726800

IUPAC2-[(3-chlorophenyl)methyl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESNC(=O)C1CCNC2(C1)CC2Cc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O/c16-13-3-1-2-10(7-13)6-12-9-15(12)8-11(14(17)19)4-5-18-15/h1-3,7,11-12,18H,4-6,8-9H2,(H2,17,19)
InChIKeyADLXMLIQPZAPEO-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.13
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]-4-azaspiro[2.5]octane-7-carboxamide

2-[(3-chlorophenyl)methyl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 175726800) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-4-azaspiro[2.5]octane-7-carboxamide
PubChem CID175726800
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-[(3-chlorophenyl)methyl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESNC(=O)C1CCNC2(C1)CC2Cc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O/c16-13-3-1-2-10(7-13)6-12-9-15(12)8-11(14(17)19)4-5-18-15/h1-3,7,11-12,18H,4-6,8-9H2,(H2,17,19)
InChIKeyADLXMLIQPZAPEO-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine
CID 83823135
4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine
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1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 108898738
(Z)-4-(3-chlorophenyl)-3-cyclopropylbut-2-enoic acid
CID 82083749
2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 175097065
1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
CID 21105013
5-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 112574745
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea
CID 170579151
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone
CID 62906043

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-4-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-4-azaspiro[2.5]octane-7-carboxamide (CID 175726800) is 2-[(3-chlorophenyl)methyl]-4-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-4-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-4-azaspiro[2.5]octane-7-carboxamide is NC(=O)C1CCNC2(C1)CC2Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-4-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is ADLXMLIQPZAPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-13-3-1-2-10(7-13)6-12-9-15(12)8-11(14(17)19)4-5-18-15/h1-3,7,11-12,18H,4-6,8-9H2,(H2,17,19).
What are the key properties of 2-[(3-chlorophenyl)methyl]-4-azaspiro[2.5]octane-7-carboxamide?
2-[(3-chlorophenyl)methyl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 278.78 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 175726800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).