4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide

C14H20ClNO — CID 43269463

IUPAC4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(CCl)cc1)C(C)C
InChIInChI=1S/C14H20ClNO/c1-4-9-16(11(2)3)14(17)13-7-5-12(10-15)6-8-13/h5-8,11H,4,9-10H2,1-3H3
InChIKeyZKANMOFUAMRMOQ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.69
Rot. Bonds5

About 4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide

4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide (PubChem CID 43269463) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide
PubChem CID43269463
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(CCl)cc1)C(C)C
InChIInChI=1S/C14H20ClNO/c1-4-9-16(11(2)3)14(17)13-7-5-12(10-15)6-8-13/h5-8,11H,4,9-10H2,1-3H3
InChIKeyZKANMOFUAMRMOQ-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide
CID 63393513
4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 43269658
4-(chloromethyl)-N,N-di(propan-2-yl)benzamide
CID 98000579
4-carbamothioyl-N-propan-2-yl-N-propylbenzamide
CID 43269726
4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119289264
6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 10421027
4-amino-N-pentyl-N-propan-2-ylbenzamide
CID 54905871
4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60948392
4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119723192
2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide
CID 107689064
N-(3-amino-3-hydroxyiminopropyl)-4-ethyl-N-propan-2-ylbenzamide
CID 76911411
N-propan-2-yl-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 62168280

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide?
The IUPAC name of 4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide (CID 43269463) is 4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide.
What is the SMILES notation for 4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide?
The canonical SMILES for 4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide is CCCN(C(=O)c1ccc(CCl)cc1)C(C)C.
What is the InChIKey of 4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide?
The InChIKey is ZKANMOFUAMRMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-4-9-16(11(2)3)14(17)13-7-5-12(10-15)6-8-13/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide?
4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide has a molecular weight of 253.77 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide is sourced from PubChem (CID 43269463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).