2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide

C14H20ClN3O — CID 67147914

IUPAC2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide
SMILESCN(C)[C@@H]1CCN(c2ccc(NC(=O)CCl)cc2)C1
InChIInChI=1S/C14H20ClN3O/c1-17(2)13-7-8-18(10-13)12-5-3-11(4-6-12)16-14(19)9-15/h3-6,13H,7-10H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyHNVLSBQELZDAAN-CYBMUJFWSA-N
MW281.79 g/mol
LogP2.00
Rot. Bonds4

About 2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide

2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide (PubChem CID 67147914) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide
PubChem CID67147914
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide
SMILESCN(C)[C@@H]1CCN(c2ccc(NC(=O)CCl)cc2)C1
InChIInChI=1S/C14H20ClN3O/c1-17(2)13-7-8-18(10-13)12-5-3-11(4-6-12)16-14(19)9-15/h3-6,13H,7-10H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyHNVLSBQELZDAAN-CYBMUJFWSA-N
XLogP2.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867650
4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867523
3-(dimethylamino)-N-[4-[4-(dimethylamino)azepan-1-yl]phenyl]propanamide
CID 143632733
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 58866968
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 21105613
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 58866547
2-amino-5-(5-chlorothiophen-2-yl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-oxopent-2-enamide
CID 163925573
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide
CID 58866822
[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol
CID 63164119
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 142931412
2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide
CID 15341403
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 58867127

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide (CID 67147914) is 2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide is CN(C)[C@@H]1CCN(c2ccc(NC(=O)CCl)cc2)C1.
What is the InChIKey of 2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is HNVLSBQELZDAAN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-17(2)13-7-8-18(10-13)12-5-3-11(4-6-12)16-14(19)9-15/h3-6,13H,7-10H2,1-2H3,(H,16,19)/t13-/m1/s1.
What are the key properties of 2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide?
2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 281.79 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 67147914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).