N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride

C17H25BrClN3O2 — CID 119589813

IUPACN-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
SMILESCl.NCC(NC(=O)CNC(=O)c1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C17H24BrN3O2.ClH/c18-14-8-4-7-13(9-14)17(23)20-11-16(22)21-15(10-19)12-5-2-1-3-6-12;/h4,7-9,12,15H,1-3,5-6,10-11,19H2,(H,20,23)(H,21,22);1H
InChIKeyRDQNSFHNKNELPZ-UHFFFAOYSA-N
MW418.76 g/mol
LogP2.62
Rot. Bonds6

About N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride

N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride (PubChem CID 119589813) has the molecular formula C17H25BrClN3O2 and a molecular weight of 418.76 g/mol. Its IUPAC name is N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
PubChem CID119589813
Molecular FormulaC17H25BrClN3O2
Molecular Weight418.76 g/mol
Exact Mass417.08
IUPAC NameN-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
SMILESCl.NCC(NC(=O)CNC(=O)c1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C17H24BrN3O2.ClH/c18-14-8-4-7-13(9-14)17(23)20-11-16(22)21-15(10-19)12-5-2-1-3-6-12;/h4,7-9,12,15H,1-3,5-6,10-11,19H2,(H,20,23)(H,21,22);1H
InChIKeyRDQNSFHNKNELPZ-UHFFFAOYSA-N
XLogP2.62
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.76
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
2-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid
CID 62696891
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119590413
2-acetamido-N-(2-amino-1-cyclohexylethyl)acetamide;hydrochloride
CID 119590269
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide
CID 119591993
N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 119591532
N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide
CID 115309240
N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
CID 119565780
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide
CID 119665856
N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119616000

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride?
The IUPAC name of N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride (CID 119589813) is N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride.
What is the SMILES notation for N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride?
The canonical SMILES for N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride is Cl.NCC(NC(=O)CNC(=O)c1cccc(Br)c1)C1CCCCC1.
What is the InChIKey of N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride?
The InChIKey is RDQNSFHNKNELPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2.ClH/c18-14-8-4-7-13(9-14)17(23)20-11-16(22)21-15(10-19)12-5-2-1-3-6-12;/h4,7-9,12,15H,1-3,5-6,10-11,19H2,(H,20,23)(H,21,22);1H.
What are the key properties of N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride?
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride has a molecular weight of 418.76 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride is sourced from PubChem (CID 119589813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).