3-chloro-N-[(2S)-4-iminobutan-2-yl]-N-(2-methylpropyl)benzamide

C15H21ClN2O — CID 175248384

IUPAC3-chloro-N-[(2S)-4-iminobutan-2-yl]-N-(2-methylpropyl)benzamide
SMILES[H]/N=C/C[C@H](C)N(CC(C)C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-11(2)10-18(12(3)7-8-17)15(19)13-5-4-6-14(16)9-13/h4-6,8-9,11-12,17H,7,10H2,1-3H3/b17-8+/t12-/m0/s1
InChIKeyBMSZQYRECMMHRV-OPFCKLNOSA-N
MW280.80 g/mol
LogP3.87
Rot. Bonds6

About 3-chloro-N-[(2S)-4-iminobutan-2-yl]-N-(2-methylpropyl)benzamide

3-chloro-N-[(2S)-4-iminobutan-2-yl]-N-(2-methylpropyl)benzamide (PubChem CID 175248384) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-4-iminobutan-2-yl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-4-iminobutan-2-yl]-N-(2-methylpropyl)benzamide
PubChem CID175248384
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name3-chloro-N-[(2S)-4-iminobutan-2-yl]-N-(2-methylpropyl)benzamide
SMILES[H]/N=C/C[C@H](C)N(CC(C)C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-11(2)10-18(12(3)7-8-17)15(19)13-5-4-6-14(16)9-13/h4-6,8-9,11-12,17H,7,10H2,1-3H3/b17-8+/t12-/m0/s1
InChIKeyBMSZQYRECMMHRV-OPFCKLNOSA-N
XLogP3.87
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(2,3-dichlorophenyl)methyl]-N-[(2R)-4-iminobutan-2-yl]benzamide;hydrochloride
CID 174500067
N-(3-bromopropyl)-3-chloro-N-propan-2-ylbenzamide
CID 80662095
3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 55000398
1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one
CID 62631217
3-chloro-N,N-dipropylbenzamide
CID 669182
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)benzamide
CID 18573583
3-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54979092
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-chloro-N-ethylbenzamide
CID 54987663
1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 11747400
2-[(3-chlorobenzoyl)-ethylamino]acetic acid
CID 61021485
3-[(3-chlorobenzoyl)-prop-2-enylamino]-2-methylpropanoic acid
CID 82325364
methyl 3-[(3-chlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008439

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-4-iminobutan-2-yl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-chloro-N-[(2S)-4-iminobutan-2-yl]-N-(2-methylpropyl)benzamide (CID 175248384) is 3-chloro-N-[(2S)-4-iminobutan-2-yl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-chloro-N-[(2S)-4-iminobutan-2-yl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-chloro-N-[(2S)-4-iminobutan-2-yl]-N-(2-methylpropyl)benzamide is [H]/N=C/C[C@H](C)N(CC(C)C)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2S)-4-iminobutan-2-yl]-N-(2-methylpropyl)benzamide?
The InChIKey is BMSZQYRECMMHRV-OPFCKLNOSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(2)10-18(12(3)7-8-17)15(19)13-5-4-6-14(16)9-13/h4-6,8-9,11-12,17H,7,10H2,1-3H3/b17-8+/t12-/m0/s1.
What are the key properties of 3-chloro-N-[(2S)-4-iminobutan-2-yl]-N-(2-methylpropyl)benzamide?
3-chloro-N-[(2S)-4-iminobutan-2-yl]-N-(2-methylpropyl)benzamide has a molecular weight of 280.80 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-4-iminobutan-2-yl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 175248384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).