1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide

C16H17BrN2OS — CID 115913456

IUPAC1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H17BrN2OS/c1-19(9-14-8-12(17)10-21-14)15(20)16(6-7-16)11-2-4-13(18)5-3-11/h2-5,8,10H,6-7,9,18H2,1H3
InChIKeyPJZCJKYOCUMQQH-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.78
Rot. Bonds4

About 1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide

1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 115913456) has the molecular formula C16H17BrN2OS and a molecular weight of 365.30 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide
PubChem CID115913456
Molecular FormulaC16H17BrN2OS
Molecular Weight365.30 g/mol
Exact Mass364.02
IUPAC Name1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H17BrN2OS/c1-19(9-14-8-12(17)10-21-14)15(20)16(6-7-16)11-2-4-13(18)5-3-11/h2-5,8,10H,6-7,9,18H2,1H3
InChIKeyPJZCJKYOCUMQQH-UHFFFAOYSA-N
XLogP3.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopentane-1-carboxamide
CID 55742854
1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide
CID 115913584
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide
CID 115441733
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183743
5-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(dimethylamino)-N-methylbenzamide
CID 61109086
N-[(4-bromothiophen-2-yl)methyl]-N-methylbut-2-ynamide
CID 107987924
1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide
CID 112558421
N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 60630831
2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
CID 75424655
2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
CID 107338022
2-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]-methylamino]acetic acid
CID 54984285

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide (CID 115913456) is 1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide is CN(Cc1cc(Br)cs1)C(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is PJZCJKYOCUMQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2OS/c1-19(9-14-8-12(17)10-21-14)15(20)16(6-7-16)11-2-4-13(18)5-3-11/h2-5,8,10H,6-7,9,18H2,1H3.
What are the key properties of 1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 365.30 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115913456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).