3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide

C14H20ClNO2 — CID 107097730

IUPAC3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide
SMILESCc1c(Cl)cccc1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C14H20ClNO2/c1-10(2)16(8-5-9-17)14(18)12-6-4-7-13(15)11(12)3/h4,6-7,10,17H,5,8-9H2,1-3H3
InChIKeyMMGOVLHQWBUGKY-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.88
Rot. Bonds5

About 3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide

3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide (PubChem CID 107097730) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide
PubChem CID107097730
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide
SMILESCc1c(Cl)cccc1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C14H20ClNO2/c1-10(2)16(8-5-9-17)14(18)12-6-4-7-13(15)11(12)3/h4,6-7,10,17H,5,8-9H2,1-3H3
InChIKeyMMGOVLHQWBUGKY-UHFFFAOYSA-N
XLogP2.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide
CID 107097897
N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide
CID 61039022
2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide
CID 115540290
N-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide
CID 80665677
2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide
CID 81461932
N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 43136684
N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide
CID 61040244
2-chloro-N-(2-hydroxyethyl)-3-nitro-N-propan-2-ylbenzamide
CID 112576318
2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide
CID 107983921
N-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 54916720
5-bromo-2-hydroxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 107729713
3-amino-N-(3-hydroxypropyl)-7-methyl-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 107112953

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide (CID 107097730) is 3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide is Cc1c(Cl)cccc1C(=O)N(CCCO)C(C)C.
What is the InChIKey of 3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide?
The InChIKey is MMGOVLHQWBUGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(2)16(8-5-9-17)14(18)12-6-4-7-13(15)11(12)3/h4,6-7,10,17H,5,8-9H2,1-3H3.
What are the key properties of 3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide?
3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide has a molecular weight of 269.77 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 107097730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).