4-[(dipropylamino)methyl]benzoyl chloride

C14H20ClNO — CID 15662524

IUPAC4-[(dipropylamino)methyl]benzoyl chloride
SMILESCCCN(CCC)Cc1ccc(C(=O)Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-3-9-16(10-4-2)11-12-5-7-13(8-6-12)14(15)17/h5-8H,3-4,9-11H2,1-2H3
InChIKeyLDCTXGGTALEVLK-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.69
Rot. Bonds7

About 4-[(dipropylamino)methyl]benzoyl chloride

4-[(dipropylamino)methyl]benzoyl chloride (PubChem CID 15662524) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-[(dipropylamino)methyl]benzoyl chloride.

Molecular Properties

Compound Name4-[(dipropylamino)methyl]benzoyl chloride
PubChem CID15662524
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-[(dipropylamino)methyl]benzoyl chloride
SMILESCCCN(CCC)Cc1ccc(C(=O)Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-3-9-16(10-4-2)11-12-5-7-13(8-6-12)14(15)17/h5-8H,3-4,9-11H2,1-2H3
InChIKeyLDCTXGGTALEVLK-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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 ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(dipropylamino)methyl]benzoic acid;hydrochloride
CID 75531543
3-[(dipropylamino)methyl]benzoyl chloride
CID 54263377
4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide
CID 79662080
2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid
CID 65064783
2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone
CID 50985068
4-[[3-carboxypropyl(propyl)amino]methyl]benzoic acid
CID 59265022
4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide
CID 110881712
4-[(dipropylamino)methyl]-N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 50967194
N-(2-bromoethyl)-N-[(4-chlorophenyl)methyl]propan-1-amine
CID 80680270
4-[[methyl(propyl)amino]methyl]benzoic acid
CID 39241525
4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide
CID 3027107
1-[4-(diethylaminomethyl)phenyl]ethanone
CID 11571995

Frequently Asked Questions

What is the IUPAC name of 4-[(dipropylamino)methyl]benzoyl chloride?
The IUPAC name of 4-[(dipropylamino)methyl]benzoyl chloride (CID 15662524) is 4-[(dipropylamino)methyl]benzoyl chloride.
What is the SMILES notation for 4-[(dipropylamino)methyl]benzoyl chloride?
The canonical SMILES for 4-[(dipropylamino)methyl]benzoyl chloride is CCCN(CCC)Cc1ccc(C(=O)Cl)cc1.
What is the InChIKey of 4-[(dipropylamino)methyl]benzoyl chloride?
The InChIKey is LDCTXGGTALEVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-9-16(10-4-2)11-12-5-7-13(8-6-12)14(15)17/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of 4-[(dipropylamino)methyl]benzoyl chloride?
4-[(dipropylamino)methyl]benzoyl chloride has a molecular weight of 253.77 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dipropylamino)methyl]benzoyl chloride is sourced from PubChem (CID 15662524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).