4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide

C19H25ClN4O2 — CID 55898568

IUPAC4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCC(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C19H25ClN4O2/c1-24(2)18(26)15-8-7-14(20)11-16(15)22-12-17(25)23-19(13-21)9-5-3-4-6-10-19/h7-8,11,22H,3-6,9-10,12H2,1-2H3,(H,23,25)
InChIKeyUSFKEHWAYWGTPD-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.19
Rot. Bonds5

About 4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide

4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide (PubChem CID 55898568) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
PubChem CID55898568
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCC(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C19H25ClN4O2/c1-24(2)18(26)15-8-7-14(20)11-16(15)22-12-17(25)23-19(13-21)9-5-3-4-6-10-19/h7-8,11,22H,3-6,9-10,12H2,1-2H3,(H,23,25)
InChIKeyUSFKEHWAYWGTPD-UHFFFAOYSA-N
XLogP3.19
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide
CID 51183090
N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide
CID 51183021
N-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide
CID 47064157
4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide
CID 43737639
2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide
CID 33164628
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide
CID 60717137
methyl 2-chloro-5-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]amino]benzoate
CID 37230490
4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 51957227
N-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide
CID 55532584
N-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide
CID 4806223
3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide
CID 78830459

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide (CID 55898568) is 4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)cc1NCC(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of 4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The InChIKey is USFKEHWAYWGTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-24(2)18(26)15-8-7-14(20)11-16(15)22-12-17(25)23-19(13-21)9-5-3-4-6-10-19/h7-8,11,22H,3-6,9-10,12H2,1-2H3,(H,23,25).
What are the key properties of 4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide has a molecular weight of 376.89 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 55898568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).