2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide

C16H12Cl3NO — CID 110440796

IUPAC2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide
SMILESO=C(NC1(c2cccc(Cl)c2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H12Cl3NO/c17-11-3-1-2-10(8-11)16(6-7-16)20-15(21)13-9-12(18)4-5-14(13)19/h1-5,8-9H,6-7H2,(H,20,21)
InChIKeyYURAJCZWXIQANB-UHFFFAOYSA-N
MW340.64 g/mol
LogP5.07
Rot. Bonds3

About 2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide

2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide (PubChem CID 110440796) has the molecular formula C16H12Cl3NO and a molecular weight of 340.64 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide
PubChem CID110440796
Molecular FormulaC16H12Cl3NO
Molecular Weight340.64 g/mol
Exact Mass339.00
IUPAC Name2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide
SMILESO=C(NC1(c2cccc(Cl)c2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H12Cl3NO/c17-11-3-1-2-10(8-11)16(6-7-16)20-15(21)13-9-12(18)4-5-14(13)19/h1-5,8-9H,6-7H2,(H,20,21)
InChIKeyYURAJCZWXIQANB-UHFFFAOYSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide
CID 110445814
[1-(3-chlorophenyl)cyclopropyl]carbamic acid
CID 122529573
N-[1-(3-chlorophenyl)cyclopropyl]-2-methoxybenzamide
CID 110443934
N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
CID 110440424
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685
N-[1-(3-chlorophenyl)cyclopropyl]pyridine-2-carboxamide
CID 110444338
2-amino-N-[1-(3-chlorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110451706
N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea
CID 110490719
1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea
CID 110490727
N-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
CID 110444805
N-[1-(3-chlorophenyl)cyclopropyl]piperidine-4-carboxamide
CID 110462274

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide (CID 110440796) is 2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide is O=C(NC1(c2cccc(Cl)c2)CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide?
The InChIKey is YURAJCZWXIQANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO/c17-11-3-1-2-10(8-11)16(6-7-16)20-15(21)13-9-12(18)4-5-14(13)19/h1-5,8-9H,6-7H2,(H,20,21).
What are the key properties of 2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide?
2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide has a molecular weight of 340.64 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide is sourced from PubChem (CID 110440796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).