1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide

C17H24BrN3O2 — CID 120654985

IUPAC1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1CCCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrN3O2/c1-3-19-12(2)11-20-16(22)15-5-4-10-21(15)17(23)13-6-8-14(18)9-7-13/h6-9,12,15,19H,3-5,10-11H2,1-2H3,(H,20,22)/t12-,15?/m1/s1
InChIKeyFAIWFEUHXVUGBK-KEKZHRQWSA-N
MW382.30 g/mol
LogP2.17
Rot. Bonds6

About 1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide

1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide (PubChem CID 120654985) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide
PubChem CID120654985
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC Name1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1CCCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrN3O2/c1-3-19-12(2)11-20-16(22)15-5-4-10-21(15)17(23)13-6-8-14(18)9-7-13/h6-9,12,15,19H,3-5,10-11H2,1-2H3,(H,20,22)/t12-,15?/m1/s1
InChIKeyFAIWFEUHXVUGBK-KEKZHRQWSA-N
XLogP2.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120654300
1-(4-bromobenzoyl)-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 47091441
1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120653066
3-[[1-(4-bromobenzoyl)pyrrolidine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250062
(2R)-1-(4-bromobenzoyl)-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-2-carboxamide
CID 52831006
1-(4-bromobenzoyl)-N-[(2S)-1-hydroxybutan-2-yl]pyrrolidine-2-carboxamide
CID 86803364
4-[[1-(4-bromobenzoyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119170941
1-(4-bromobenzoyl)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]pyrrolidine-2-carboxamide
CID 75456839
methyl 5-[[1-(4-bromobenzoyl)pyrrolidine-2-carbonyl]amino]pentanoate
CID 60613077
N-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119667208
1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide
CID 112823538
1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 60612291

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide (CID 120654985) is 1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide is CCN[C@H](C)CNC(=O)C1CCCN1C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide?
The InChIKey is FAIWFEUHXVUGBK-KEKZHRQWSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-3-19-12(2)11-20-16(22)15-5-4-10-21(15)17(23)13-6-8-14(18)9-7-13/h6-9,12,15,19H,3-5,10-11H2,1-2H3,(H,20,22)/t12-,15?/m1/s1.
What are the key properties of 1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide?
1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide has a molecular weight of 382.30 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 120654985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).