N-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride

C18H27BrClN3O2 — CID 119667208

IUPACN-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1CCCN1C(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C18H26BrN3O2.ClH/c1-2-3-5-15(12-20)21-17(23)16-6-4-11-22(16)18(24)13-7-9-14(19)10-8-13;/h7-10,15-16H,2-6,11-12,20H2,1H3,(H,21,23);1H
InChIKeyPLNSVVVQDWTLMZ-UHFFFAOYSA-N
MW432.79 g/mol
LogP3.11
Rot. Bonds7

About N-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride

N-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119667208) has the molecular formula C18H27BrClN3O2 and a molecular weight of 432.79 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119667208
Molecular FormulaC18H27BrClN3O2
Molecular Weight432.79 g/mol
Exact Mass431.10
IUPAC NameN-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1CCCN1C(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C18H26BrN3O2.ClH/c1-2-3-5-15(12-20)21-17(23)16-6-4-11-22(16)18(24)13-7-9-14(19)10-8-13;/h7-10,15-16H,2-6,11-12,20H2,1H3,(H,21,23);1H
InChIKeyPLNSVVVQDWTLMZ-UHFFFAOYSA-N
XLogP3.11
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.79
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromobenzoyl)-N-[(2S)-1-hydroxybutan-2-yl]pyrrolidine-2-carboxamide
CID 86803364
N-(1-aminohexan-2-yl)-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide
CID 119667834
N-(1-aminohexan-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 119668412
N-(1-aminohexan-2-yl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 119665699
N-decan-2-yl-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 166843631
1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide
CID 120654985
1-(4-bromobenzoyl)-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 47091441
N-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119665150
4-[[1-(4-bromobenzoyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119170941
3-[[1-(4-bromobenzoyl)pyrrolidine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250062
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-butoxybenzoyl)pyrrolidine-2-carboxamide
CID 42757600
(2R)-1-(4-bromobenzoyl)-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-2-carboxamide
CID 52831006

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119667208) is N-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride is CCCCC(CN)NC(=O)C1CCCN1C(=O)c1ccc(Br)cc1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is PLNSVVVQDWTLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN3O2.ClH/c1-2-3-5-15(12-20)21-17(23)16-6-4-11-22(16)18(24)13-7-9-14(19)10-8-13;/h7-10,15-16H,2-6,11-12,20H2,1H3,(H,21,23);1H.
What are the key properties of N-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 432.79 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119667208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).