3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide

C20H21BrN2O3 — CID 46475324

IUPAC3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc1Br
InChIInChI=1S/C20H21BrN2O3/c1-12(22-20(25)15-7-10-18(26-2)17(21)11-15)13-5-8-16(9-6-13)23-19(24)14-3-4-14/h5-12,14H,3-4H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyVXLXDTMRSYBRGV-UHFFFAOYSA-N
MW417.30 g/mol
LogP4.30
Rot. Bonds6

About 3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide

3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide (PubChem CID 46475324) has the molecular formula C20H21BrN2O3 and a molecular weight of 417.30 g/mol. Its IUPAC name is 3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide
PubChem CID46475324
Molecular FormulaC20H21BrN2O3
Molecular Weight417.30 g/mol
Exact Mass416.07
IUPAC Name3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc1Br
InChIInChI=1S/C20H21BrN2O3/c1-12(22-20(25)15-7-10-18(26-2)17(21)11-15)13-5-8-16(9-6-13)23-19(24)14-3-4-14/h5-12,14H,3-4H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyVXLXDTMRSYBRGV-UHFFFAOYSA-N
XLogP4.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 60661014
3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739360
3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide
CID 43058061
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide
CID 115150743
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 55584533
4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 134021153
4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 55584438
3-bromo-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-4-methoxybenzamide
CID 4502168
3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide
CID 46585346
4-amino-5-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methoxybenzamide;hydrochloride
CID 119722083
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 8962855

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide (CID 46475324) is 3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide?
The InChIKey is VXLXDTMRSYBRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O3/c1-12(22-20(25)15-7-10-18(26-2)17(21)11-15)13-5-8-16(9-6-13)23-19(24)14-3-4-14/h5-12,14H,3-4H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide?
3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide has a molecular weight of 417.30 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 46475324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).