N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide

C14H19BrN2O — CID 63141717

IUPACN-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2ccccc2Br)CCNC1
InChIInChI=1S/C14H19BrN2O/c1-2-14(7-8-16-10-14)13(18)17-9-11-5-3-4-6-12(11)15/h3-6,16H,2,7-10H2,1H3,(H,17,18)
InChIKeyMYNJERGIGLNMIZ-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.45
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide

N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide (PubChem CID 63141717) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
PubChem CID63141717
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2ccccc2Br)CCNC1
InChIInChI=1S/C14H19BrN2O/c1-2-14(7-8-16-10-14)13(18)17-9-11-5-3-4-6-12(11)15/h3-6,16H,2,7-10H2,1H3,(H,17,18)
InChIKeyMYNJERGIGLNMIZ-UHFFFAOYSA-N
XLogP2.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166669
N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620352
N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139495
N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63127175
N-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide
CID 83071908
3-ethyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55165709
3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 63140952
N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166503
1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119707366
1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide
CID 113311677
3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106384775
2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 63142475

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide (CID 63141717) is N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)NCc2ccccc2Br)CCNC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is MYNJERGIGLNMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-2-14(7-8-16-10-14)13(18)17-9-11-5-3-4-6-12(11)15/h3-6,16H,2,7-10H2,1H3,(H,17,18).
What are the key properties of N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide?
N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63141717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).