N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methoxy]benzamide

C19H21BrN2O2 — CID 119616898

IUPACN-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methoxy]benzamide
SMILESNCC(NC(=O)c1ccccc1OCc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C19H21BrN2O2/c20-15-9-5-13(6-10-15)12-24-18-4-2-1-3-16(18)19(23)22-17(11-21)14-7-8-14/h1-6,9-10,14,17H,7-8,11-12,21H2,(H,22,23)
InChIKeyRIGMFUQBRYCCKE-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.50
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methoxy]benzamide

N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methoxy]benzamide (PubChem CID 119616898) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methoxy]benzamide
PubChem CID119616898
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methoxy]benzamide
SMILESNCC(NC(=O)c1ccccc1OCc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C19H21BrN2O2/c20-15-9-5-13(6-10-15)12-24-18-4-2-1-3-16(18)19(23)22-17(11-21)14-7-8-14/h1-6,9-10,14,17H,7-8,11-12,21H2,(H,22,23)
InChIKeyRIGMFUQBRYCCKE-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methoxy]benzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methoxy]benzamide (CID 119616898) is N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methoxy]benzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methoxy]benzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methoxy]benzamide is NCC(NC(=O)c1ccccc1OCc1ccc(Br)cc1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methoxy]benzamide?
The InChIKey is RIGMFUQBRYCCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c20-15-9-5-13(6-10-15)12-24-18-4-2-1-3-16(18)19(23)22-17(11-21)14-7-8-14/h1-6,9-10,14,17H,7-8,11-12,21H2,(H,22,23).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methoxy]benzamide?
N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methoxy]benzamide has a molecular weight of 389.29 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methoxy]benzamide is sourced from PubChem (CID 119616898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).