N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide

C20H22BrNO — CID 60592231

IUPACN-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C20H22BrNO/c1-15(18-9-10-18)22(14-17-5-3-2-4-6-17)20(23)13-16-7-11-19(21)12-8-16/h2-8,11-12,15,18H,9-10,13-14H2,1H3
InChIKeyPHRYFRFSLAVZTE-UHFFFAOYSA-N
MW372.31 g/mol
LogP4.82
Rot. Bonds6

About N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide

N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide (PubChem CID 60592231) has the molecular formula C20H22BrNO and a molecular weight of 372.31 g/mol. Its IUPAC name is N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide
PubChem CID60592231
Molecular FormulaC20H22BrNO
Molecular Weight372.31 g/mol
Exact Mass371.09
IUPAC NameN-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C20H22BrNO/c1-15(18-9-10-18)22(14-17-5-3-2-4-6-17)20(23)13-16-7-11-19(21)12-8-16/h2-8,11-12,15,18H,9-10,13-14H2,1H3
InChIKeyPHRYFRFSLAVZTE-UHFFFAOYSA-N
XLogP4.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-(1-cyclopropylethyl)-4-hydroxypentanamide
CID 79200111
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide
CID 132763037
N-benzyl-N-(1-cyclopropylethyl)pentanamide
CID 78805275
N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide
CID 60948375
4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride
CID 119265829
3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide
CID 119948804
N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide
CID 62839563
2-(5-amino-2-pyridinyl)-N-benzyl-N-(1-cyclopropylethyl)acetamide;hydrochloride
CID 120617047
2-amino-N-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]acetamide
CID 60939851
2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133253402
N-benzyl-N-(1-cyclopropylethyl)-2-(2-methoxyethylamino)acetamide
CID 78913957

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide?
The IUPAC name of N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide (CID 60592231) is N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide?
The canonical SMILES for N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide is CC(C1CC1)N(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1.
What is the InChIKey of N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide?
The InChIKey is PHRYFRFSLAVZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO/c1-15(18-9-10-18)22(14-17-5-3-2-4-6-17)20(23)13-16-7-11-19(21)12-8-16/h2-8,11-12,15,18H,9-10,13-14H2,1H3.
What are the key properties of N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide?
N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide has a molecular weight of 372.31 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide is sourced from PubChem (CID 60592231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).