N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide

C17H19BrN2O — CID 81381793

IUPACN-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)N[C@@H](C)c1cccc(Br)c1
InChIInChI=1S/C17H19BrN2O/c1-3-19-16-10-5-4-9-15(16)17(21)20-12(2)13-7-6-8-14(18)11-13/h4-12,19H,3H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyNXENSOXKOGPCQF-LBPRGKRZSA-N
MW347.26 g/mol
LogP4.37
Rot. Bonds5

About N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide

N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide (PubChem CID 81381793) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide
PubChem CID81381793
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)N[C@@H](C)c1cccc(Br)c1
InChIInChI=1S/C17H19BrN2O/c1-3-19-16-10-5-4-9-15(16)17(21)20-12(2)13-7-6-8-14(18)11-13/h4-12,19H,3H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyNXENSOXKOGPCQF-LBPRGKRZSA-N
XLogP4.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide
CID 81368098
2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
CID 61021681
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide
CID 81356651
2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 54790772
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide
CID 97311230
2-(ethylamino)-N-(1-thiophen-3-ylethyl)benzamide
CID 55127001
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 107951327
N-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104640557
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
2-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169362
2-(ethylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168319

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide?
The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide (CID 81381793) is N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide.
What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide?
The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide is CCNc1ccccc1C(=O)N[C@@H](C)c1cccc(Br)c1.
What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide?
The InChIKey is NXENSOXKOGPCQF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-3-19-16-10-5-4-9-15(16)17(21)20-12(2)13-7-6-8-14(18)11-13/h4-12,19H,3H2,1-2H3,(H,20,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide?
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide has a molecular weight of 347.26 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide is sourced from PubChem (CID 81381793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).