2-chloro-N-[4-chloro-2-[(Z)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]phenyl]acetamide

C20H21Cl2N3O — CID 134876630

IUPAC2-chloro-N-[4-chloro-2-[(Z)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(Cl)cc1/C(=N\N1CCCCC1)c1ccccc1
InChIInChI=1S/C20H21Cl2N3O/c21-14-19(26)23-18-10-9-16(22)13-17(18)20(15-7-3-1-4-8-15)24-25-11-5-2-6-12-25/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,23,26)/b24-20-
InChIKeyRGWRPJNGKKWTDH-GFMRDNFCSA-N
MW390.31 g/mol
LogP4.76
Rot. Bonds5

About 2-chloro-N-[4-chloro-2-[(Z)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]phenyl]acetamide

2-chloro-N-[4-chloro-2-[(Z)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]phenyl]acetamide (PubChem CID 134876630) has the molecular formula C20H21Cl2N3O and a molecular weight of 390.31 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-2-[(Z)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-2-[(Z)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]phenyl]acetamide
PubChem CID134876630
Molecular FormulaC20H21Cl2N3O
Molecular Weight390.31 g/mol
Exact Mass389.11
IUPAC Name2-chloro-N-[4-chloro-2-[(Z)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(Cl)cc1/C(=N\N1CCCCC1)c1ccccc1
InChIInChI=1S/C20H21Cl2N3O/c21-14-19(26)23-18-10-9-16(22)13-17(18)20(15-7-3-1-4-8-15)24-25-11-5-2-6-12-25/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,23,26)/b24-20-
InChIKeyRGWRPJNGKKWTDH-GFMRDNFCSA-N
XLogP4.76
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3039234
N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]acetamide
CID 6163012
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 100774842
4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
CID 91415552
5-chloro-2-(piperidin-1-ylamino)benzoic acid
CID 83015368
2-[[[2-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]-5-chlorophenyl]-phenylmethylidene]amino]acetic acid
CID 24987704
N-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 56501325
N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide
CID 167791626
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium
CID 5113102
2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid
CID 61158198
N-(2-benzoyl-4-chlorophenyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56569861

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-2-[(Z)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-chloro-2-[(Z)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]phenyl]acetamide (CID 134876630) is 2-chloro-N-[4-chloro-2-[(Z)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-2-[(Z)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-chloro-2-[(Z)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]phenyl]acetamide is O=C(CCl)Nc1ccc(Cl)cc1/C(=N\N1CCCCC1)c1ccccc1.
What is the InChIKey of 2-chloro-N-[4-chloro-2-[(Z)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]phenyl]acetamide?
The InChIKey is RGWRPJNGKKWTDH-GFMRDNFCSA-N. The full InChI is InChI=1S/C20H21Cl2N3O/c21-14-19(26)23-18-10-9-16(22)13-17(18)20(15-7-3-1-4-8-15)24-25-11-5-2-6-12-25/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,23,26)/b24-20-.
What are the key properties of 2-chloro-N-[4-chloro-2-[(Z)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]phenyl]acetamide?
2-chloro-N-[4-chloro-2-[(Z)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]phenyl]acetamide has a molecular weight of 390.31 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-2-[(Z)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]phenyl]acetamide is sourced from PubChem (CID 134876630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).