2-amino-N-[(4-chlorophenyl)methyl]-4-(2-cyanopyrrol-1-yl)-N-methylbutanamide;hydrochloride

C17H20Cl2N4O — CID 66989410

IUPAC2-amino-N-[(4-chlorophenyl)methyl]-4-(2-cyanopyrrol-1-yl)-N-methylbutanamide;hydrochloride
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C(N)CCn1cccc1C#N.Cl
InChIInChI=1S/C17H19ClN4O.ClH/c1-21(12-13-4-6-14(18)7-5-13)17(23)16(20)8-10-22-9-2-3-15(22)11-19;/h2-7,9,16H,8,10,12,20H2,1H3;1H
InChIKeyZJUMMLKPBHLRNW-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.81
Rot. Bonds6

About 2-amino-N-[(4-chlorophenyl)methyl]-4-(2-cyanopyrrol-1-yl)-N-methylbutanamide;hydrochloride

2-amino-N-[(4-chlorophenyl)methyl]-4-(2-cyanopyrrol-1-yl)-N-methylbutanamide;hydrochloride (PubChem CID 66989410) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is 2-amino-N-[(4-chlorophenyl)methyl]-4-(2-cyanopyrrol-1-yl)-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-chlorophenyl)methyl]-4-(2-cyanopyrrol-1-yl)-N-methylbutanamide;hydrochloride
PubChem CID66989410
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC Name2-amino-N-[(4-chlorophenyl)methyl]-4-(2-cyanopyrrol-1-yl)-N-methylbutanamide;hydrochloride
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C(N)CCn1cccc1C#N.Cl
InChIInChI=1S/C17H19ClN4O.ClH/c1-21(12-13-4-6-14(18)7-5-13)17(23)16(20)8-10-22-9-2-3-15(22)11-19;/h2-7,9,16H,8,10,12,20H2,1H3;1H
InChIKeyZJUMMLKPBHLRNW-UHFFFAOYSA-N
XLogP2.81
TPSA75.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-methyl-1H-pyrrole-2-carboxamide
CID 24820012
5-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155755000
N-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)propanamide
CID 3244797
N-[(4-chlorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 2455907
N-(3-chloro-4-cyanophenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 4787158
(Z)-2-(4-Chlorophenyl)-3-(1-propanoyl-1H-pyrrol-2-yl)acrylonitrile
CID 11558282
N-[2-(4-chlorophenyl)ethyl]-3-(1H-pyrrol-1-yl)propanamide
CID 3236679
1-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(ethylamino)ethanone
CID 46743614
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-1-propan-2-ylpyrrole-2-carboxamide
CID 25189767
1-[3-[[(4-Chlorophenyl)-pyridin-3-ylmethyl]amino]propyl]pyrrolidin-2-one
CID 56665598
(2R)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 71454382
(4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 71463313

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-chlorophenyl)methyl]-4-(2-cyanopyrrol-1-yl)-N-methylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4-chlorophenyl)methyl]-4-(2-cyanopyrrol-1-yl)-N-methylbutanamide;hydrochloride (CID 66989410) is 2-amino-N-[(4-chlorophenyl)methyl]-4-(2-cyanopyrrol-1-yl)-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4-chlorophenyl)methyl]-4-(2-cyanopyrrol-1-yl)-N-methylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4-chlorophenyl)methyl]-4-(2-cyanopyrrol-1-yl)-N-methylbutanamide;hydrochloride is CN(Cc1ccc(Cl)cc1)C(=O)C(N)CCn1cccc1C#N.Cl.
What is the InChIKey of 2-amino-N-[(4-chlorophenyl)methyl]-4-(2-cyanopyrrol-1-yl)-N-methylbutanamide;hydrochloride?
The InChIKey is ZJUMMLKPBHLRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O.ClH/c1-21(12-13-4-6-14(18)7-5-13)17(23)16(20)8-10-22-9-2-3-15(22)11-19;/h2-7,9,16H,8,10,12,20H2,1H3;1H.
What are the key properties of 2-amino-N-[(4-chlorophenyl)methyl]-4-(2-cyanopyrrol-1-yl)-N-methylbutanamide;hydrochloride?
2-amino-N-[(4-chlorophenyl)methyl]-4-(2-cyanopyrrol-1-yl)-N-methylbutanamide;hydrochloride has a molecular weight of 367.28 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-chlorophenyl)methyl]-4-(2-cyanopyrrol-1-yl)-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 66989410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).