2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide

C13H19ClN2O — CID 63659127

IUPAC2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1c(N)cccc1Cl)C(C)C
InChIInChI=1S/C13H19ClN2O/c1-4-8-16(9(2)3)13(17)12-10(14)6-5-7-11(12)15/h5-7,9H,4,8,15H2,1-3H3
InChIKeyBSNMUTUAOAWSSL-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.18
Rot. Bonds4

About 2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide

2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide (PubChem CID 63659127) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide
PubChem CID63659127
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1c(N)cccc1Cl)C(C)C
InChIInChI=1S/C13H19ClN2O/c1-4-8-16(9(2)3)13(17)12-10(14)6-5-7-11(12)15/h5-7,9H,4,8,15H2,1-3H3
InChIKeyBSNMUTUAOAWSSL-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2-Amino-6-chloro-phenyl)-(4-{4-[1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone
CID 456323
3-(2-chlorobenzyl)-1,2,3-benzotriazin-4(3H)-one
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N-(1-adamantylmethyl)-2-amino-6-chlorobenzamide
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2-amino-6-chloro-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide
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2-amino-N-{3-[4-(3-chlorophenyl)-1-piperazinyl]propyl}benzamide
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CID 13675968

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide?
The IUPAC name of 2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide (CID 63659127) is 2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide.
What is the SMILES notation for 2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide?
The canonical SMILES for 2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide is CCCN(C(=O)c1c(N)cccc1Cl)C(C)C.
What is the InChIKey of 2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide?
The InChIKey is BSNMUTUAOAWSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-8-16(9(2)3)13(17)12-10(14)6-5-7-11(12)15/h5-7,9H,4,8,15H2,1-3H3.
What are the key properties of 2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide?
2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide has a molecular weight of 254.76 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide is sourced from PubChem (CID 63659127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).