3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide

C14H16BrClN2O — CID 103841788

IUPAC3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
SMILESO=C(NC1CCN(C2CC2)C1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H16BrClN2O/c15-12-7-9(1-4-13(12)16)14(19)17-10-5-6-18(8-10)11-2-3-11/h1,4,7,10-11H,2-3,5-6,8H2,(H,17,19)
InChIKeySUJZWECOCKPSQI-UHFFFAOYSA-N
MW343.65 g/mol
LogP3.07
Rot. Bonds3

About 3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide

3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide (PubChem CID 103841788) has the molecular formula C14H16BrClN2O and a molecular weight of 343.65 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
PubChem CID103841788
Molecular FormulaC14H16BrClN2O
Molecular Weight343.65 g/mol
Exact Mass342.01
IUPAC Name3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
SMILESO=C(NC1CCN(C2CC2)C1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H16BrClN2O/c15-12-7-9(1-4-13(12)16)14(19)17-10-5-6-18(8-10)11-2-3-11/h1,4,7,10-11H,2-3,5-6,8H2,(H,17,19)
InChIKeySUJZWECOCKPSQI-UHFFFAOYSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.65
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide
CID 103841550
4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 82833146
N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide
CID 47938545
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241
3-bromo-4-chloro-N-(thian-4-yl)benzamide
CID 103841879
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylbenzamide
CID 47938718
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 62161092
3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide
CID 103842108
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 94796962
4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide
CID 43711761
3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide
CID 107989487
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide
CID 94796573

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide (CID 103841788) is 3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide is O=C(NC1CCN(C2CC2)C1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide?
The InChIKey is SUJZWECOCKPSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O/c15-12-7-9(1-4-13(12)16)14(19)17-10-5-6-18(8-10)11-2-3-11/h1,4,7,10-11H,2-3,5-6,8H2,(H,17,19).
What are the key properties of 3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide?
3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide has a molecular weight of 343.65 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 103841788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).