2-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide

C15H19BrN2O — CID 119514058

IUPAC2-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCN1)C1CC1c1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O/c16-11-4-1-3-10(7-11)13-8-14(13)15(19)18-9-12-5-2-6-17-12/h1,3-4,7,12-14,17H,2,5-6,8-9H2,(H,18,19)
InChIKeyGYWFJMWFUQWHEB-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.42
Rot. Bonds4

About 2-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide

2-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 119514058) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID119514058
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCN1)C1CC1c1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O/c16-11-4-1-3-10(7-11)13-8-14(13)15(19)18-9-12-5-2-6-17-12/h1,3-4,7,12-14,17H,2,5-6,8-9H2,(H,18,19)
InChIKeyGYWFJMWFUQWHEB-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
CID 119448623
methyl 3-[[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95284135
N-(3-aminopropyl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119408418
trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide
CID 94813050
2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120650416
methyl 5-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]pentanoate
CID 49197372
N-[2-(aminomethyl)cyclohexyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
CID 119612033
2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide
CID 49194889
N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
CID 119571568
cis-(1R,2S)-2-(3-bromophenyl)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]cyclopropane-1-carboxamide
CID 98787009
3-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119220666
N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119571567

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide (CID 119514058) is 2-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide is O=C(NCC1CCCN1)C1CC1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is GYWFJMWFUQWHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-11-4-1-3-10(7-11)13-8-14(13)15(19)18-9-12-5-2-6-17-12/h1,3-4,7,12-14,17H,2,5-6,8-9H2,(H,18,19).
What are the key properties of 2-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide?
2-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 323.23 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119514058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).