2-(2-bromophenyl)-2-(N-carbamoyl-4-chloroanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide

C23H28BrClN4O2 — CID 68692628

IUPAC2-(2-bromophenyl)-2-(N-carbamoyl-4-chloroanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(NC(=O)C(c2ccccc2Br)N(C(N)=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H28BrClN4O2/c1-15(2)28-13-11-17(12-14-28)27-22(30)21(19-5-3-4-6-20(19)24)29(23(26)31)18-9-7-16(25)8-10-18/h3-10,15,17,21H,11-14H2,1-2H3,(H2,26,31)(H,27,30)
InChIKeyOAGNKGRMVWWDHF-UHFFFAOYSA-N
MW507.86 g/mol
LogP4.72
Rot. Bonds6

About 2-(2-bromophenyl)-2-(N-carbamoyl-4-chloroanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide

2-(2-bromophenyl)-2-(N-carbamoyl-4-chloroanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 68692628) has the molecular formula C23H28BrClN4O2 and a molecular weight of 507.86 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(N-carbamoyl-4-chloroanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(N-carbamoyl-4-chloroanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID68692628
Molecular FormulaC23H28BrClN4O2
Molecular Weight507.86 g/mol
Exact Mass506.11
IUPAC Name2-(2-bromophenyl)-2-(N-carbamoyl-4-chloroanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(NC(=O)C(c2ccccc2Br)N(C(N)=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H28BrClN4O2/c1-15(2)28-13-11-17(12-14-28)27-22(30)21(19-5-3-4-6-20(19)24)29(23(26)31)18-9-7-16(25)8-10-18/h3-10,15,17,21H,11-14H2,1-2H3,(H2,26,31)(H,27,30)
InChIKeyOAGNKGRMVWWDHF-UHFFFAOYSA-N
XLogP4.72
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.86
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 25236767
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 42562531
2-(N-carbamoyl-4-chloroanilino)-2-(2-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 68694212
3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51203757
2-(N-carbamoyl-4-chloroanilino)-2-(2-iodophenyl)acetic acid
CID 68693242
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide
CID 49437832
2-(N-carbamoyl-4-chloroanilino)-N-(4-piperidin-1-yliminocyclohexa-2,5-dien-1-yl)-2-thiophen-2-ylacetamide
CID 68693597
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28716756
2-(N-(2-chloroacetyl)-4-propan-2-ylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 122437328
2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 43700528

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(N-carbamoyl-4-chloroanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-bromophenyl)-2-(N-carbamoyl-4-chloroanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 68692628) is 2-(2-bromophenyl)-2-(N-carbamoyl-4-chloroanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-2-(N-carbamoyl-4-chloroanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-bromophenyl)-2-(N-carbamoyl-4-chloroanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide is CC(C)N1CCC(NC(=O)C(c2ccccc2Br)N(C(N)=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(2-bromophenyl)-2-(N-carbamoyl-4-chloroanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is OAGNKGRMVWWDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrClN4O2/c1-15(2)28-13-11-17(12-14-28)27-22(30)21(19-5-3-4-6-20(19)24)29(23(26)31)18-9-7-16(25)8-10-18/h3-10,15,17,21H,11-14H2,1-2H3,(H2,26,31)(H,27,30).
What are the key properties of 2-(2-bromophenyl)-2-(N-carbamoyl-4-chloroanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
2-(2-bromophenyl)-2-(N-carbamoyl-4-chloroanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 507.86 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(N-carbamoyl-4-chloroanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 68692628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).