4-[2-(4-carbamoyl-2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide

C14H17Cl2N5O3 — CID 14722539

IUPAC4-[2-(4-carbamoyl-2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide
SMILESNC(=O)c1cc(Cl)c(NC(=O)CN2CCNC(C(N)=O)C2)c(Cl)c1
InChIInChI=1S/C14H17Cl2N5O3/c15-8-3-7(13(17)23)4-9(16)12(8)20-11(22)6-21-2-1-19-10(5-21)14(18)24/h3-4,10,19H,1-2,5-6H2,(H2,17,23)(H2,18,24)(H,20,22)
InChIKeyJLNWLYRCRHWMKF-UHFFFAOYSA-N
MW374.23 g/mol
LogP-0.21
Rot. Bonds5

About 4-[2-(4-carbamoyl-2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide

4-[2-(4-carbamoyl-2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide (PubChem CID 14722539) has the molecular formula C14H17Cl2N5O3 and a molecular weight of 374.23 g/mol. Its IUPAC name is 4-[2-(4-carbamoyl-2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-carbamoyl-2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide
PubChem CID14722539
Molecular FormulaC14H17Cl2N5O3
Molecular Weight374.23 g/mol
Exact Mass373.07
IUPAC Name4-[2-(4-carbamoyl-2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide
SMILESNC(=O)c1cc(Cl)c(NC(=O)CN2CCNC(C(N)=O)C2)c(Cl)c1
InChIInChI=1S/C14H17Cl2N5O3/c15-8-3-7(13(17)23)4-9(16)12(8)20-11(22)6-21-2-1-19-10(5-21)14(18)24/h3-4,10,19H,1-2,5-6H2,(H2,17,23)(H2,18,24)(H,20,22)
InChIKeyJLNWLYRCRHWMKF-UHFFFAOYSA-N
XLogP-0.21
TPSA130.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-2,6-dichlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 15087720
2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
CID 119924470
N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55131355
N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668030
2-[(3S)-3-methylpiperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 104977240
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 60642327
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65449046
N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448449
N-(3-chlorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976986
N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975276
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924663
N-(2-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65450158

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-carbamoyl-2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide?
The IUPAC name of 4-[2-(4-carbamoyl-2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide (CID 14722539) is 4-[2-(4-carbamoyl-2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-carbamoyl-2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide?
The canonical SMILES for 4-[2-(4-carbamoyl-2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide is NC(=O)c1cc(Cl)c(NC(=O)CN2CCNC(C(N)=O)C2)c(Cl)c1.
What is the InChIKey of 4-[2-(4-carbamoyl-2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide?
The InChIKey is JLNWLYRCRHWMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N5O3/c15-8-3-7(13(17)23)4-9(16)12(8)20-11(22)6-21-2-1-19-10(5-21)14(18)24/h3-4,10,19H,1-2,5-6H2,(H2,17,23)(H2,18,24)(H,20,22).
What are the key properties of 4-[2-(4-carbamoyl-2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide?
4-[2-(4-carbamoyl-2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide has a molecular weight of 374.23 g/mol, XLogP of -0.21, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-carbamoyl-2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide is sourced from PubChem (CID 14722539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).