N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C14H21BrClN3O2 — CID 119762963

IUPACN-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC(=O)Nc1cc(Br)ccc1C.Cl
InChIInChI=1S/C14H20BrN3O2.ClH/c1-9-4-5-11(15)6-12(9)18-13(19)8-17-14(20)10(2)7-16-3;/h4-6,10,16H,7-8H2,1-3H3,(H,17,20)(H,18,19);1H
InChIKeyKPQQZNMXIQDNSS-UHFFFAOYSA-N
MW378.70 g/mol
LogP2.09
Rot. Bonds6

About N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119762963) has the molecular formula C14H21BrClN3O2 and a molecular weight of 378.70 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119762963
Molecular FormulaC14H21BrClN3O2
Molecular Weight378.70 g/mol
Exact Mass377.05
IUPAC NameN-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC(=O)Nc1cc(Br)ccc1C.Cl
InChIInChI=1S/C14H20BrN3O2.ClH/c1-9-4-5-11(15)6-12(9)18-13(19)8-17-14(20)10(2)7-16-3;/h4-6,10,16H,7-8H2,1-3H3,(H,17,20)(H,18,19);1H
InChIKeyKPQQZNMXIQDNSS-UHFFFAOYSA-N
XLogP2.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.70
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-2-methylbutanamide
CID 94819863
1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119762937
2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
CID 119279910
N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119764217
N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852007
1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119762938
(2S)-2-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-methylpentanamide
CID 119764254
N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119762977
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119684867
N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957842
N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119727073
N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
CID 119739143

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119762963) is N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NCC(=O)Nc1cc(Br)ccc1C.Cl.
What is the InChIKey of N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is KPQQZNMXIQDNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2.ClH/c1-9-4-5-11(15)6-12(9)18-13(19)8-17-14(20)10(2)7-16-3;/h4-6,10,16H,7-8H2,1-3H3,(H,17,20)(H,18,19);1H.
What are the key properties of N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 378.70 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119762963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).