2-chloro-4-methyl-N-(oxolan-2-ylmethyl)benzamide

C13H16ClNO2 — CID 2907109

IUPAC2-chloro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCC2CCCO2)c(Cl)c1
InChIInChI=1S/C13H16ClNO2/c1-9-4-5-11(12(14)7-9)13(16)15-8-10-3-2-6-17-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyHXNHGDOYPCKOEQ-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.56
Rot. Bonds3

About 2-chloro-4-methyl-N-(oxolan-2-ylmethyl)benzamide

2-chloro-4-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2907109) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2907109
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-chloro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCC2CCCO2)c(Cl)c1
InChIInChI=1S/C13H16ClNO2/c1-9-4-5-11(12(14)7-9)13(16)15-8-10-3-2-6-17-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyHXNHGDOYPCKOEQ-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 799090
Benzamide, N-tetrahydrofurfuryl-3-methyl-
CID 531960
2,5-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 2162726
3-chloro-4-methyl-N-[3-(morpholin-4-yl)propyl]benzamide
CID 2269216
N-(2-chlorobenzyl)tetrahydro-2-furancarboxamide
CID 2957283
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
2-Chloro-4-methyl-N-(2-morpholin-4-yl-ethyl)-benzamide
CID 885892
2-chloro-4-methyl-N-[3-(4-morpholinyl)propyl]benzamide
CID 2234725
1-(4-chlorobenzoyl)-N-(tetrahydro-2-furanylmethyl)-4-piperidinecarboxamide
CID 2921033
4-Methyl-N-(2,2,2-trichloro-1-{[(oxolan-2-YL)methyl]amino}ethyl)benzamide
CID 4435366
4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44572003
4-(3-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44572103

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-4-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 2907109) is 2-chloro-4-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-(oxolan-2-ylmethyl)benzamide is Cc1ccc(C(=O)NCC2CCCO2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is HXNHGDOYPCKOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-9-4-5-11(12(14)7-9)13(16)15-8-10-3-2-6-17-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16).
What are the key properties of 2-chloro-4-methyl-N-(oxolan-2-ylmethyl)benzamide?
2-chloro-4-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 253.73 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2907109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).