N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride

C15H23Cl3N2O — CID 119740289

IUPACN-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride
SMILESCNCC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C.Cl
InChIInChI=1S/C15H22Cl2N2O.ClH/c1-10(2)19(15(20)11(3)8-18-4)9-12-5-6-13(16)14(17)7-12;/h5-7,10-11,18H,8-9H2,1-4H3;1H
InChIKeyPAHCBCDHFGQSKI-UHFFFAOYSA-N
MW353.72 g/mol
LogP4.01
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride

N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride (PubChem CID 119740289) has the molecular formula C15H23Cl3N2O and a molecular weight of 353.72 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride
PubChem CID119740289
Molecular FormulaC15H23Cl3N2O
Molecular Weight353.72 g/mol
Exact Mass352.09
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride
SMILESCNCC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C.Cl
InChIInChI=1S/C15H22Cl2N2O.ClH/c1-10(2)19(15(20)11(3)8-18-4)9-12-5-6-13(16)14(17)7-12;/h5-7,10-11,18H,8-9H2,1-4H3;1H
InChIKeyPAHCBCDHFGQSKI-UHFFFAOYSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.72
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119743606
2-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 107904496
2-bromo-N-[(3,4-dichlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 63463541
N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 55123171
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 61163777
N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide
CID 62837617
N-(3,4-dichlorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119670901
5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685188
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904
2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81485987
5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 63523898
1-[(3,4-dichlorophenyl)methyl]-3-[3-(difluoromethyl)phenyl]-1-propan-2-ylurea
CID 56527717

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride (CID 119740289) is N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride is CNCC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C.Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride?
The InChIKey is PAHCBCDHFGQSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O.ClH/c1-10(2)19(15(20)11(3)8-18-4)9-12-5-6-13(16)14(17)7-12;/h5-7,10-11,18H,8-9H2,1-4H3;1H.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride?
N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride has a molecular weight of 353.72 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride is sourced from PubChem (CID 119740289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).