N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride

C14H21BrClN3O — CID 119922743

IUPACN-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C1CCNC1.Cl
InChIInChI=1S/C14H20BrN3O.ClH/c1-10-7-11(15)3-4-13(10)17-14(19)9-18(2)12-5-6-16-8-12;/h3-4,7,12,16H,5-6,8-9H2,1-2H3,(H,17,19);1H
InChIKeyGJTAOTSKFUWZTA-UHFFFAOYSA-N
MW362.70 g/mol
LogP2.41
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride

N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride (PubChem CID 119922743) has the molecular formula C14H21BrClN3O and a molecular weight of 362.70 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
PubChem CID119922743
Molecular FormulaC14H21BrClN3O
Molecular Weight362.70 g/mol
Exact Mass361.06
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C1CCNC1.Cl
InChIInChI=1S/C14H20BrN3O.ClH/c1-10-7-11(15)3-4-13(10)17-14(19)9-18(2)12-5-6-16-8-12;/h3-4,7,12,16H,5-6,8-9H2,1-2H3,(H,17,19);1H
InChIKeyGJTAOTSKFUWZTA-UHFFFAOYSA-N
XLogP2.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.70
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301508
N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607565
2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
CID 119922827
N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
CID 54910115
2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113158463
N-(4-bromo-2-methylphenyl)-2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetamide
CID 17432748
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119684877
N-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642312
2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 63298307
2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 66186902
N-(4-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922897
N-(4-bromo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635384

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride (CID 119922743) is N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride is Cc1cc(Br)ccc1NC(=O)CN(C)C1CCNC1.Cl.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
The InChIKey is GJTAOTSKFUWZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O.ClH/c1-10-7-11(15)3-4-13(10)17-14(19)9-18(2)12-5-6-16-8-12;/h3-4,7,12,16H,5-6,8-9H2,1-2H3,(H,17,19);1H.
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride has a molecular weight of 362.70 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride is sourced from PubChem (CID 119922743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).